DOI: 10.14469/hpc/10213
Metadata
Created: 2022-03-11 09:25
Last modified: 2022-03-11 10:47
Author: Henry Rzepa
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Co-author: Kazunori Miyamoto
Co-author: Masanobu Uchiyama
Description
raw NMR data
Files
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2,6-di-tert-butyl-4-(3,5-di-tert-butyl-4-(ethynyloxy)benzylidene)cyclohexa-2,5-dien-1-one.zip
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582KB
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application/zip
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Bruker dataset
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2,6-di-tert-butyl-4-(3,5-di-tert-butyl-4-(ethynyloxy)benzylidene)cyclohexa-2,5-dien-1-one.mnpub
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0
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chemical/x-mnpub
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Mestrenova signature file for 2,6-di-tert-butyl-4-(3,5-di-tert-butyl-4-(ethynyloxy)benzylidene)cyclohexa-2,5-dien-1-one.zip
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2,6-di-tert-butyl-4-(3,5-di-tert-butyl-4-(ethynyloxy)benzylidene)cyclohexa-2,5-dien-1-one.cdxml
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9KB
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chemical/x-cdxml
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Chemdraw connection table
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2,6-di-tert-butyl-4-(3,5-di-tert-butyl-4-(ethynyloxy)benzylidene)cyclohexa-2,5-dien-1-one.pdf
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251KB
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application/pdf
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Acrobat spectrum
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2,6-di-tert-butyl-4-(3,5-di-tert-butyl-4-(ethynyloxy)benzylidene)cyclohexa-2,5-dien-1-one.mnova
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380KB
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chemical/x-mnova
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Mnova dataset
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2,6-di-tert-butyl-4-(3,5-di-tert-butyl-4-(ethynyloxy)benzylidene)cyclohexa-2,5-dien-1-one.mnpub
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0
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chemical/x-mnpub
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Mestrenova signature file for 2,6-di-tert-butyl-4-(3,5-di-tert-butyl-4-(ethynyloxy)benzylidene)cyclohexa-2,5-dien-1-one.mnova
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2,6-di-tert-butyl-4-(3,5-di-tert-butyl-4-(ethynyloxy)benzylidene)cyclohexa-2,5-dien-1-one.jdx
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201KB
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chemical/x-jcamp-dx
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JCAMP-DX spectrum
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Member of collection / collaboration
| DOI | Description |
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10.14469/hpc/10192
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NMR data for "A combined DFT-predictive and experimental exploration of the sensitivity towards nucleofuge variation in zwitterionic intermediates relating to mechanistic models for unimolecular chemical generation and trapping of free C2 and alternative bimolecular pathways involving no free C2".
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Subject Keywords
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inchi
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InChI=1S/C31H42O2/c1-14-33-27-24(30(8,9)10)18-21(19-25(27)31(11,12)13)15-20-16-22(28(2,3)4)26(32)23(17-20)29(5,6)7/h1,15-19H,2-13H3
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inchikey
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DVMDIIOCMCWBKQ-UHFFFAOYSA-N
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