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benzoic acid, 2-chloro-5-[(4Z)-4-[[4-(cyanomethoxy)-3-methoxyphenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-

View entire compound with spectra: 1 NMR

benzoic acid, 2-chloro-5-[(4Z)-4-[[4-(cyanomethoxy)-3-methoxyphenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-
SpectraBase Compound ID jXFmBJIWCk
InChI InChI=1S/C21H16ClN3O5/c1-12-15(9-13-3-6-18(30-8-7-23)19(10-13)29-2)20(26)25(24-12)14-4-5-17(22)16(11-14)21(27)28/h3-6,9-11H,8H2,1-2H3,(H,27,28)/b15-9-
InChIKey FLBCLFSDYMNRNR-DHDCSXOGSA-N
Mol Weight 425.83 g/mol
Molecular Formula C21H16ClN3O5
Exact Mass 425.077848 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BKQBzq4jVnr
Name benzoic acid, 2-chloro-5-[(4Z)-4-[[4-(cyanomethoxy)-3-methoxyphenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 425.077848322 u
Formula C21H16ClN3O5
InChI InChI=1S/C21H16ClN3O5/c1-12-15(9-13-3-6-18(30-8-7-23)19(10-13)29-2)20(26)25(24-12)14-4-5-17(22)16(11-14)21(27)28/h3-6,9-11H,8H2,1-2H3,(H,27,28)/b15-9-
InChIKey FLBCLFSDYMNRNR-DHDCSXOGSA-N
Molecular Weight 425.828 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_955
Solvent DMSO-d6
Source Vendor ID: ZI/7116044; Lab Info: SAD; Lab Number: SAD-r000020