4-[3-({(Z)-[(1,3-benzodioxol-5-ylmethyl)amino][(4-ethoxyphenyl)imino]methyl}sulfanyl)-2,5-dioxo-1-pyrrolidinyl]benzoic acid

SpectraBase Compound ID	5PjiSAih5KN
InChI	InChI=1S/C28H25N3O7S/c1-2-36-21-10-6-19(7-11-21)30-28(29-15-17-3-12-22-23(13-17)38-16-37-22)39-24-14-25(32)31(26(24)33)20-8-4-18(5-9-20)27(34)35/h3-13,24H,2,14-16H2,1H3,(H,29,30)(H,34,35)
InChIKey	HJHTUVLNBHRHEL-UHFFFAOYSA-N Google Search
Mol Weight	547.58 g/mol
Molecular Formula	C28H25N3O7S
Exact Mass	547.141321 g/mol

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SpectraBase Spectrum ID	KQFynSAqvCK
Name	4-[3-({(Z)-[(1,3-benzodioxol-5-ylmethyl)amino][(4-ethoxyphenyl)imino]methyl}sulfanyl)-2,5-dioxo-1-pyrrolidinyl]benzoic acid
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C28H25N3O7S/c1-2-36-21-10-6-19(7-11-21)30-28(29-15-17-3-12-22-23(13-17)38-16-37-22)39-24-14-25(32)31(26(24)33)20-8-4-18(5-9-20)27(34)35/h3-13,24H,2,14-16H2,1H3,(H,29,30)(H,34,35)
InChIKey	HJHTUVLNBHRHEL-UHFFFAOYSA-N
NMR Offset	15.0036
NMR Spectrometer Frequency	250.134
Observed nucleus	1H
Origin	1H_ASIOH_7529_486
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: ZI/8174056; Labnumber: PE-0005267
Temperature	297 °C