benzoic acid, 2-chloro-, 4-[6-amino-5-cyano-3-(1,1-dimethylethyl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl ester

SpectraBase Compound ID	9NkrSnzXpbr
InChI	InChI=1S/C24H21ClN4O3/c1-24(2,3)20-19-18(16(12-26)21(27)32-22(19)29-28-20)13-8-10-14(11-9-13)31-23(30)15-6-4-5-7-17(15)25/h4-11,18H,27H2,1-3H3,(H,28,29)
InChIKey	NRBAHNGZSAUMSR-UHFFFAOYSA-N Google Search
Mol Weight	448.91 g/mol
Molecular Formula	C24H21ClN4O3
Exact Mass	448.130218 g/mol

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SpectraBase Spectrum ID	I3EKZodjz0k
Name	benzoic acid, 2-chloro-, 4-[6-amino-5-cyano-3-(1,1-dimethylethyl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl ester
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/C24H21ClN4O3/c1-24(2,3)20-19-18(16(12-26)21(27)32-22(19)29-28-20)13-8-10-14(11-9-13)31-23(30)15-6-4-5-7-17(15)25/h4-11,18H,27H2,1-3H3,(H,28,29)
InChIKey	NRBAHNGZSAUMSR-UHFFFAOYSA-N
NMR Offset	17.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_8313_2384
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/9251546; Labnumber: L-19,Rozhkov