4-[5-(2-chloro-8-methyl-3-quinolinyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

SpectraBase Compound ID	FE8Eh7Z63M6
InChI	InChI=1S/C21H18ClN3O3S/c1-12-4-2-5-13-10-14(21(22)23-20(12)13)16-11-15(17-6-3-9-29-17)24-25(16)18(26)7-8-19(27)28/h2-6,9-10,16H,7-8,11H2,1H3,(H,27,28)
InChIKey	FOANBJOTFCVPGN-UHFFFAOYSA-N Google Search
Mol Weight	427.91 g/mol
Molecular Formula	C21H18ClN3O3S
Exact Mass	427.07574 g/mol

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SpectraBase Spectrum ID	68fnLql3Bfv
Name	4-[5-(2-chloro-8-methyl-3-quinolinyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic 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/C21H18ClN3O3S/c1-12-4-2-5-13-10-14(21(22)23-20(12)13)16-11-15(17-6-3-9-29-17)24-25(16)18(26)7-8-19(27)28/h2-6,9-10,16H,7-8,11H2,1H3,(H,27,28)
InChIKey	FOANBJOTFCVPGN-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_6459
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: 123668; Labnumber: EX00124901; VK_ID: VK-006462
Temperature	315 °C