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2-({3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

View entire compound with spectra: 1 NMR

2-({3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
SpectraBase Compound ID IRNz8cCmCid
InChI InChI=1S/C23H25ClN4O2S/c1-13-20(24)14(2)28(27-13)12-15-7-6-8-16(11-15)22(30)26-23-19(21(25)29)17-9-4-3-5-10-18(17)31-23/h6-8,11H,3-5,9-10,12H2,1-2H3,(H2,25,29)(H,26,30)
InChIKey XSSPPNUVIRNBSF-UHFFFAOYSA-N
Mol Weight 456.99 g/mol
Molecular Formula C23H25ClN4O2S
Exact Mass 456.138675 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BH24WITSbMu
Name 2-({3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.138674933 u
Formula C23H25ClN4O2S
InChI InChI=1S/C23H25ClN4O2S/c1-13-20(24)14(2)28(27-13)12-15-7-6-8-16(11-15)22(30)26-23-19(21(25)29)17-9-4-3-5-10-18(17)31-23/h6-8,11H,3-5,9-10,12H2,1-2H3,(H2,25,29)(H,26,30)
InChIKey XSSPPNUVIRNBSF-UHFFFAOYSA-N
Molecular Weight 456.992 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_9132
Solvent DMSO-d6
Source Vendor ID: NMR/13228388