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3-[(4Z)-4-(5-bromo-2-propoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
SpectraBase Compound ID Lkc4mhJcEez
InChI InChI=1S/C21H19BrN2O4/c1-3-9-28-19-8-7-16(22)10-15(19)12-18-13(2)23-24(20(18)25)17-6-4-5-14(11-17)21(26)27/h4-8,10-12H,3,9H2,1-2H3,(H,26,27)/b18-12-
InChIKey AZZUYYBTTMFOIJ-PDGQHHTCSA-N
Mol Weight 443.3 g/mol
Molecular Formula C21H19BrN2O4
Exact Mass 442.05282 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AGEpcQDzwaC
Name 3-[(4Z)-4-(5-bromo-2-propoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic 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/C21H19BrN2O4/c1-3-9-28-19-8-7-16(22)10-15(19)12-18-13(2)23-24(20(18)25)17-6-4-5-14(11-17)21(26)27/h4-8,10-12H,3,9H2,1-2H3,(H,26,27)/b18-12-
InChIKey AZZUYYBTTMFOIJ-PDGQHHTCSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13131
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: UZI/9058958; UBI_ID: UBI-013134
Synonyms 3-[4-(5-bromo-2-propoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Temperature 318 °C