NMR data for 2-(4-methoxybenzyl)-2,4-dihydro-3H-pyrazol-3-one (9), 1H, keto form, CDCl3

DOI: 10.14469/hpc/11845 Metadata

Created: 2022-11-13 17:45

Last modified: 2024-05-28 09:00

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Primary NMR data for Compound 9.

Files

FilenameSizeTypeDescription
9-keto form 1H.zip 461KB application/zip Bruker primary data archive
9-keto form 1H.mnpub 0 chemical/x-mnpub Mestrenova signature file for 9-keto form 1H.zip
9-keto form 1H.mnova 567KB chemical/x-mnova Mnova data archive
9-keto form 1H.mnpub 0 chemical/x-mnpub Mestrenova signature file for 9-keto form 1H.mnova
9-keto form 1H.jdx 181KB chemical/x-jcamp-dx JCAMP-DX Spectrum
9-keto form 1H.pdf 29KB application/pdf Spectrum as PDF
9.mol 4KB chemical/x-mdl-molfile MDL Molfile
9.cdxml 12KB chemical/x-cdxml Chemdraw connection table
9.cdxml 10KB chemical/x-cdxml Chemdraw connection table v2
9.png 39KB image/png Image representation
9.mol 2KB chemical/x-mdl-molfile MDL Molfile v2

Member of collection / collaboration

DOIDescription
10.14469/hpc/11829 NMR Data for Compound 9.

Subject Keywords

KeywordValue
inchi InChI=1S/C11H12N2O2/c1-15-10-4-2-9(3-5-10)8-13-11(14)6-7-12-13/h2-5,7H,6,8H2,1H3
inchikey RDXMBFOQVILFPM-UHFFFAOYSA-N
NMR_Expt 1D
NMR_Nucleus 1H
NMR_Solvent CDCl3
SMILES O=C1N(CC2=CC=C(OC)C=C2)N=CC1

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