5-[(3-cyano-5-methyl-4-phenyl-2-thienyl)amino]-5-oxopentanoic acid

SpectraBase Compound ID	C9oCX5Z88Zc
InChI	InChI=1S/C17H16N2O3S/c1-11-16(12-6-3-2-4-7-12)13(10-18)17(23-11)19-14(20)8-5-9-15(21)22/h2-4,6-7H,5,8-9H2,1H3,(H,19,20)(H,21,22)
InChIKey	DQYDGPMGMCTXJD-UHFFFAOYSA-N Google Search
Mol Weight	328.39 g/mol
Molecular Formula	C17H16N2O3S
Exact Mass	328.088164 g/mol

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SpectraBase Spectrum ID	7La4ngTLnzw
Name	5-[(3-cyano-5-methyl-4-phenyl-2-thienyl)amino]-5-oxopentanoic 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/C17H16N2O3S/c1-11-16(12-6-3-2-4-7-12)13(10-18)17(23-11)19-14(20)8-5-9-15(21)22/h2-4,6-7H,5,8-9H2,1H3,(H,19,20)(H,21,22)
InChIKey	DQYDGPMGMCTXJD-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_19549
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: UZI/9249848; Labnumber: U_AM_ACK/001648; UZI_ID: UZI-019556
Temperature	318 °C