homocysteine, N-benzoyl-S-methyl-, 2-[(4-methoxyphenyl)amino]-2-oxoethyl ester

SpectraBase Compound ID	FxXWdv2WpC3
InChI	InChI=1S/C21H24N2O5S/c1-27-17-10-8-16(9-11-17)22-19(24)14-28-21(26)18(12-13-29-2)23-20(25)15-6-4-3-5-7-15/h3-11,18H,12-14H2,1-2H3,(H,22,24)(H,23,25)
InChIKey	KQWLHVRTUWBZLJ-UHFFFAOYSA-N Google Search
Mol Weight	416.49 g/mol
Molecular Formula	C21H24N2O5S
Exact Mass	416.140593 g/mol

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SpectraBase Spectrum ID	EWT0QIeBdKN
Name	homocysteine, N-benzoyl-S-methyl-, 2-[(4-methoxyphenyl)amino]-2-oxoethyl ester
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	416.140593050 u
Formula	C21H24N2O5S
InChI	InChI=1S/C21H24N2O5S/c1-27-17-10-8-16(9-11-17)22-19(24)14-28-21(26)18(12-13-29-2)23-20(25)15-6-4-3-5-7-15/h3-11,18H,12-14H2,1-2H3,(H,22,24)(H,23,25)
InChIKey	KQWLHVRTUWBZLJ-UHFFFAOYSA-N
Molecular Weight	416.492 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_1215
Solvent	DMSO-d6
Source	Vendor ID: ZI/7058877; Lab Info: L-23,Ezhova; Lab Number: L-23/0004380