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3-thiophenecarboxylic acid, 2-[[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)carbonyl]amino]-4,5-dimethyl-, methyl ester
SpectraBase Compound ID 3glyR5ctgbU
InChI InChI=1S/C19H18ClN3O3S/c1-10-12(3)27-18(14(10)19(25)26-4)21-17(24)15-11(2)22-23(16(15)20)13-8-6-5-7-9-13/h5-9H,1-4H3,(H,21,24)
InChIKey QBSWQLWTGFXFTF-UHFFFAOYSA-N
Mol Weight 403.88 g/mol
Molecular Formula C19H18ClN3O3S
Exact Mass 403.07574 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FqnXFcJWdoT
Name 3-thiophenecarboxylic acid, 2-[[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)carbonyl]amino]-4,5-dimethyl-, methyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 403.075740323 u
Formula C19H18ClN3O3S
InChI InChI=1S/C19H18ClN3O3S/c1-10-12(3)27-18(14(10)19(25)26-4)21-17(24)15-11(2)22-23(16(15)20)13-8-6-5-7-9-13/h5-9H,1-4H3,(H,21,24)
InChIKey QBSWQLWTGFXFTF-UHFFFAOYSA-N
Molecular Weight 403.884 g/mol
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4232
Solvent DMSO-d6
Source Vendor ID: ZI/9036707; Lab Info: BOS; Lab Number: BOS-mmy0021