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1H-pyrazole-1-butanoic acid, 3-(4-bromophenyl)-4,5-dihydro-gamma-oxo-5-(6-quinoxalinyl)-

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1H-pyrazole-1-butanoic acid, 3-(4-bromophenyl)-4,5-dihydro-gamma-oxo-5-(6-quinoxalinyl)-
SpectraBase Compound ID CPY7ALNgwCK
InChI InChI=1S/C21H17BrN4O3/c22-15-4-1-13(2-5-15)17-12-19(26(25-17)20(27)7-8-21(28)29)14-3-6-16-18(11-14)24-10-9-23-16/h1-6,9-11,19H,7-8,12H2,(H,28,29)
InChIKey GEZDWRPWPVCDAX-UHFFFAOYSA-N
Mol Weight 453.3 g/mol
Molecular Formula C21H17BrN4O3
Exact Mass 452.048403 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Cd8w95iDQQC
Name 1H-pyrazole-1-butanoic acid, 3-(4-bromophenyl)-4,5-dihydro-gamma-oxo-5-(6-quinoxalinyl)-
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/C21H17BrN4O3/c22-15-4-1-13(2-5-15)17-12-19(26(25-17)20(27)7-8-21(28)29)14-3-6-16-18(11-14)24-10-9-23-16/h1-6,9-11,19H,7-8,12H2,(H,28,29)
InChIKey GEZDWRPWPVCDAX-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_10493
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: F37848; Labnumber: Vost-S0914-0225