For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

3-[(4E)-4-(3-bromo-4,5-dimethoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid

View entire compound with spectra: 1 NMR

3-[(4E)-4-(3-bromo-4,5-dimethoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
SpectraBase Compound ID 3x9Yn3c6BxI
InChI InChI=1S/C20H17BrN2O5/c1-11-15(7-12-8-16(21)18(28-3)17(9-12)27-2)19(24)23(22-11)14-6-4-5-13(10-14)20(25)26/h4-10H,1-3H3,(H,25,26)/b15-7+
InChIKey MWBDMCZXAFHMMG-VIZOYTHASA-N
Mol Weight 445.27 g/mol
Molecular Formula C20H17BrN2O5
Exact Mass 444.032085 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8GeepwF4ENj
Name 3-[(4E)-4-(3-bromo-4,5-dimethoxybenzylidene)-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/C20H17BrN2O5/c1-11-15(7-12-8-16(21)18(28-3)17(9-12)27-2)19(24)23(22-11)14-6-4-5-13(10-14)20(25)26/h4-10H,1-3H3,(H,25,26)/b15-7+
InChIKey MWBDMCZXAFHMMG-VIZOYTHASA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_5058
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/8074541; Labnumber: BMW-100838A; UZI_ID: UZI-005060
Synonyms 3-[4-(3-bromo-4,5-dimethoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Temperature 308 °C