pentanoic acid, 5-[(3S,4S)-4-(benzoylamino)dihydro-3-hydroxythienylidene]-, methyl ester, (5E)-

SpectraBase Compound ID	3SHdImo5WcW
InChI	InChI=1S/C17H21NO4S/c1-22-15(19)10-6-5-9-14-16(20)13(11-23-14)18-17(21)12-7-3-2-4-8-12/h2-4,7-9,13,16,20H,5-6,10-11H2,1H3,(H,18,21)/b14-9+
InChIKey	VTJYJQFKNLLGNV-NTEUORMPSA-N Google Search
Mol Weight	335.42 g/mol
Molecular Formula	C17H21NO4S
Exact Mass	335.119129 g/mol

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SpectraBase Spectrum ID	39txYwnCVKd
Name	pentanoic acid, 5-[(3S,4S)-4-(benzoylamino)dihydro-3-hydroxythienylidene]-, methyl ester, (5E)-
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/C17H21NO4S/c1-22-15(19)10-6-5-9-14-16(20)13(11-23-14)18-17(21)12-7-3-2-4-8-12/h2-4,7-9,13,16,20H,5-6,10-11H2,1H3,(H,18,21)/b14-9+
InChIKey	VTJYJQFKNLLGNV-NTEUORMPSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7529_3702
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: NMR/17231678; Labnumber: RV-3000001