Ethyl [2-(benzylsulfanyl)-4-(4-nitrophenyl)-1H-imidazol-1-yl]acetate

SpectraBase Compound ID	GBr4F082FKp
InChI	InChI=1S/C20H19N3O4S/c1-2-27-19(24)13-22-12-18(16-8-10-17(11-9-16)23(25)26)21-20(22)28-14-15-6-4-3-5-7-15/h3-12H,2,13-14H2,1H3
InChIKey	FVFTYPFLWPZOMJ-UHFFFAOYSA-N Google Search
Mol Weight	397.45 g/mol
Molecular Formula	C20H19N3O4S
Exact Mass	397.109627 g/mol

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SpectraBase Spectrum ID	DE0YRqMDt0k
Name	1H-imidazole-1-acetic acid, 4-(4-nitrophenyl)-2-[(phenylmethyl)thio]-,ethyl 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	397.109627274 u
Formula	C20H19N3O4S
InChI	InChI=1S/C20H19N3O4S/c1-2-27-19(24)13-22-12-18(16-8-10-17(11-9-16)23(25)26)21-20(22)28-14-15-6-4-3-5-7-15/h3-12H,2,13-14H2,1H3
InChIKey	FVFTYPFLWPZOMJ-UHFFFAOYSA-N
Molecular Weight	397.449 g/mol
NMR Offset	17.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_6590
Solvent	DMSO-d6
Source	Vendor ID: NMR/9302873; Lab Info: LP; Lab Number: LP-3701095