DOI: 10.14469/hpc/11581 Metadata

Created: 2022-10-26 15:13

Last modified: 2024-05-28 17:00

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Primary NMR Data for Sample 40.

Files

Filename	Size	Type	Description
40-cosy.zip	1MB	application/zip	Bruker primary Data archive
40-cosy.mnpub	0	chemical/x-mnpub	Mestrenova signature file for 40-cosy.zip
40-cosy.mnova	1MB	chemical/x-mnova	Mnova data archive
40-cosy.mnpub	0	chemical/x-mnpub	Mestrenova signature file for 40-cosy.mnova
40-cosy.jdx	754KB	chemical/x-jcamp-dx	JCAMP-DX Spectrum
40-cosy.pdf	33KB	application/pdf	Spectrum as PDF
40.png	48KB	image/png	Image structure representation
40.cdxml	16KB	chemical/x-cdxml	Chemdraw connection table
40.mol	6KB	chemical/x-mdl-molfile	MDL Molfile
40.cdxml	20KB	chemical/x-cdxml	Chemdraw connection table, V2
40.mol	5KB	chemical/x-mdl-molfile	MDL Molfile, V2
40.png	99KB	image/png	Image structure representation, V2
40.png	62KB	image/png	Image structure representation, V3
40.cdxml	19KB	chemical/x-cdxml	Chemdraw connection table, V3

Member of collection / collaboration

DOI	Description
10.14469/hpc/11578	NMR Data for Compound 40.

Subject Keywords

Keyword	Value
inchi	InChI=1S/2C12H12N2O3.4C2H4O2.2Rh/c2*1-2-17-12(16)10-8-13-14(11(10)15)9-6-4-3-5-7-9;4*1-2(3)4;;/h2*3-8,15H,2H2,1H3;4*1H3,(H,3,4);;/q;;;;;;2*+2/p-4
inchikey	WGBLMKJHPCVTIH-UHFFFAOYSA-J
NMR_Expt	COSY
NMR_Nucleus	1H
SMILES	CC1=O[Rh]2(OC(C)=O3)(O=C(O4)C)([N]5=CC(C(OCC)=O)=C(O)N5C6=CC=CC=C6)[Rh]34(O=C(O2)C)([N]7=CC(C(OCC)=O)=C(O)N7C(/C=C)=C/C)O1

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