3-[2-(1-Methyl-1H-benzoimidazol-2-ylsulfanyl)-acetylamino]-benzoic acid isopropyl ester

SpectraBase Compound ID	HSH37Js92Gr
InChI	InChI=1S/C20H21N3O3S/c1-13(2)26-19(25)14-7-6-8-15(11-14)21-18(24)12-27-20-22-16-9-4-5-10-17(16)23(20)3/h4-11,13H,12H2,1-3H3,(H,21,24)
InChIKey	NQYCSECXBAXJCQ-UHFFFAOYSA-N Google Search
Mol Weight	383.47 g/mol
Molecular Formula	C20H21N3O3S
Exact Mass	383.130363 g/mol

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SpectraBase Spectrum ID	I2aatWYx5to
Name	benzoic acid, 3-[[[(1-methyl-1H-benzimidazol-2-yl)thio]acetyl]amino]-,1-methylethyl 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	383.130362719 u
Formula	C20H21N3O3S
InChI	InChI=1S/C20H21N3O3S/c1-13(2)26-19(25)14-7-6-8-15(11-14)21-18(24)12-27-20-22-16-9-4-5-10-17(16)23(20)3/h4-11,13H,12H2,1-3H3,(H,21,24)
InChIKey	NQYCSECXBAXJCQ-UHFFFAOYSA-N
Molecular Weight	383.466 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_10994
Solvent	DMSO-d6
Source	Vendor ID: NMR/10251194; Lab Info: LP; Lab Number: LP-2100676