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benzoic acid, 4-[1-(3-chloro-2-methylphenyl)-4,5,6,7-tetrahydro-3-methyl-6-oxo-1H-pyrazolo[3,4-b]pyridin-4-yl]-
SpectraBase Compound ID IoyKLOQpSo1
InChI InChI=1S/C21H18ClN3O3/c1-11-16(22)4-3-5-17(11)25-20-19(12(2)24-25)15(10-18(26)23-20)13-6-8-14(9-7-13)21(27)28/h3-9,15H,10H2,1-2H3,(H,23,26)(H,27,28)
InChIKey IBIXKFCRWXQVEU-UHFFFAOYSA-N
Mol Weight 395.85 g/mol
Molecular Formula C21H18ClN3O3
Exact Mass 395.103669 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EUObDZCkmRk
Name benzoic acid, 4-[1-(3-chloro-2-methylphenyl)-4,5,6,7-tetrahydro-3-methyl-6-oxo-1H-pyrazolo[3,4-b]pyridin-4-yl]-
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/C21H18ClN3O3/c1-11-16(22)4-3-5-17(11)25-20-19(12(2)24-25)15(10-18(26)23-20)13-6-8-14(9-7-13)21(27)28/h3-9,15H,10H2,1-2H3,(H,23,26)(H,27,28)
InChIKey IBIXKFCRWXQVEU-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_9179
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: F34281; Labnumber: MAVAS-S1202-2846