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2-chloro-5-{5-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-2-furyl}benzoic acid
SpectraBase Compound ID C6itkcDgYIp
InChI InChI=1S/C22H15ClN2O4/c1-13-17(21(26)25(24-13)15-5-3-2-4-6-15)12-16-8-10-20(29-16)14-7-9-19(23)18(11-14)22(27)28/h2-12H,1H3,(H,27,28)/b17-12+
InChIKey LOAFBHNMJPEINV-SFQUDFHCSA-N
Mol Weight 406.83 g/mol
Molecular Formula C22H15ClN2O4
Exact Mass 406.072035 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GjOcxwM87eG
Name 2-chloro-5-{5-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-2-furyl}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/C22H15ClN2O4/c1-13-17(21(26)25(24-13)15-5-3-2-4-6-15)12-16-8-10-20(29-16)14-7-9-19(23)18(11-14)22(27)28/h2-12H,1H3,(H,27,28)/b17-12+
InChIKey LOAFBHNMJPEINV-SFQUDFHCSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_15652
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/8015584; UBI_ID: UBI-015655
Synonyms 2-chloro-5-{5-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-2-furyl}benzoic acid
Temperature 318 °C