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2-[(4-chlorobenzoyl)amino]-N-(2,6-dimethylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
SpectraBase Compound ID AYRXGliF5wT
InChI InChI=1S/C25H25ClN2O2S/c1-15-7-6-8-16(2)22(15)27-24(30)21-19-9-4-3-5-10-20(19)31-25(21)28-23(29)17-11-13-18(26)14-12-17/h6-8,11-14H,3-5,9-10H2,1-2H3,(H,27,30)(H,28,29)
InChIKey BBEXYDOATFFLQN-UHFFFAOYSA-N
Mol Weight 453.0 g/mol
Molecular Formula C25H25ClN2O2S
Exact Mass 452.132527 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FG4KbrGOn5d
Name 4H-cyclohepta[b]thiophene-3-carboxamide, 2-[(4-chlorobenzoyl)amino]-N-(2,6-dimethylphenyl)-5,6,7,8-tetrahydro-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.132526925 u
Formula C25H25ClN2O2S
InChI InChI=1S/C25H25ClN2O2S/c1-15-7-6-8-16(2)22(15)27-24(30)21-19-9-4-3-5-10-20(19)31-25(21)28-23(29)17-11-13-18(26)14-12-17/h6-8,11-14H,3-5,9-10H2,1-2H3,(H,27,30)(H,28,29)
InChIKey BBEXYDOATFFLQN-UHFFFAOYSA-N
Molecular Weight 453.000 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16718
Solvent DMSO-d6
Source Vendor ID: NMR/11211222; Lab Info: DEC; Lab Number: DEC-S000303