5-[5-(1,3-benzodioxol-5-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid

SpectraBase Compound ID	HIBDELQDuGp
InChI	InChI=1S/C21H20N2O5/c24-20(7-4-8-21(25)26)23-17(12-16(22-23)14-5-2-1-3-6-14)15-9-10-18-19(11-15)28-13-27-18/h1-3,5-6,9-11,17H,4,7-8,12-13H2,(H,25,26)
InChIKey	QQKBMNYOKYFORD-UHFFFAOYSA-N Google Search
Mol Weight	380.4 g/mol
Molecular Formula	C21H20N2O5
Exact Mass	380.137222 g/mol

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SpectraBase Spectrum ID	HYeMINcyUI6
Name	5-[5-(1,3-benzodioxol-5-yl)-3-phenyl-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/C21H20N2O5/c24-20(7-4-8-21(25)26)23-17(12-16(22-23)14-5-2-1-3-6-14)15-9-10-18-19(11-15)28-13-27-18/h1-3,5-6,9-11,17H,4,7-8,12-13H2,(H,25,26)
InChIKey	QQKBMNYOKYFORD-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_2460
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: D03046; Labnumber: EXVost5-0122; SBI_ID: SBI-002462
Temperature	303 °C