5-[3-(3,4-dimethoxyphenyl)-5-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid

SpectraBase Compound ID	BuU7Dtw8oD2
InChI	InChI=1S/C20H22N2O5S/c1-26-16-9-8-13(11-17(16)27-2)14-12-15(18-5-4-10-28-18)22(21-14)19(23)6-3-7-20(24)25/h4-5,8-11,15H,3,6-7,12H2,1-2H3,(H,24,25)
InChIKey	RNELQDMAUDCFJA-UHFFFAOYSA-N Google Search
Mol Weight	402.47 g/mol
Molecular Formula	C20H22N2O5S
Exact Mass	402.124943 g/mol

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SpectraBase Spectrum ID	H9V7m7C80Zn
Name	5-[3-(3,4-dimethoxyphenyl)-5-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]-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/C20H22N2O5S/c1-26-16-9-8-13(11-17(16)27-2)14-12-15(18-5-4-10-28-18)22(21-14)19(23)6-3-7-20(24)25/h4-5,8-11,15H,3,6-7,12H2,1-2H3,(H,24,25)
InChIKey	RNELQDMAUDCFJA-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_2427
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: D02999; Labnumber: EXVost5-0059; SBI_ID: SBI-002429
Temperature	303 °C