4-[[2-[(2-anilino-2-keto-ethyl)thio]acetyl]amino]benzoic acid butyl ester

SpectraBase Compound ID	lK6z2DEQWa
InChI	InChI=1S/C21H24N2O4S/c1-2-3-13-27-21(26)16-9-11-18(12-10-16)23-20(25)15-28-14-19(24)22-17-7-5-4-6-8-17/h4-12H,2-3,13-15H2,1H3,(H,22,24)(H,23,25)
InChIKey	HVTXTIHYIVCDIR-UHFFFAOYSA-N Google Search
Mol Weight	400.49 g/mol
Molecular Formula	C21H24N2O4S
Exact Mass	400.145678 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	DbsYNadu7Q3
Name	benzoic acid, 4-[[[[2-oxo-2-(phenylamino)ethyl]thio]acetyl]amino]-,butyl 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	400.145678431 u
Formula	C21H24N2O4S
InChI	InChI=1S/C21H24N2O4S/c1-2-3-13-27-21(26)16-9-11-18(12-10-16)23-20(25)15-28-14-19(24)22-17-7-5-4-6-8-17/h4-12H,2-3,13-15H2,1H3,(H,22,24)(H,23,25)
InChIKey	HVTXTIHYIVCDIR-UHFFFAOYSA-N
Molecular Weight	400.493 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_14523
Solvent	DMSO-d6
Source	Vendor ID: NMR/10300708; Lab Info: LP; Lab Number: LP-pf00142