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4H-cyclohepta[b]thiophene-3-carboxamide, 5,6,7,8-tetrahydro-2-[(4-methylbenzoyl)amino]-N-(4-methylphenyl)-
SpectraBase Compound ID EpRdauI0QO1
InChI InChI=1S/C25H26N2O2S/c1-16-8-12-18(13-9-16)23(28)27-25-22(20-6-4-3-5-7-21(20)30-25)24(29)26-19-14-10-17(2)11-15-19/h8-15H,3-7H2,1-2H3,(H,26,29)(H,27,28)
InChIKey TTZDWIHBDPTNOO-UHFFFAOYSA-N
Mol Weight 418.56 g/mol
Molecular Formula C25H26N2O2S
Exact Mass 418.171499 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1swBc1eS4CV
Name 4H-cyclohepta[b]thiophene-3-carboxamide, 5,6,7,8-tetrahydro-2-[(4-methylbenzoyl)amino]-N-(4-methylphenyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.171499257 u
Formula C25H26N2O2S
InChI InChI=1S/C25H26N2O2S/c1-16-8-12-18(13-9-16)23(28)27-25-22(20-6-4-3-5-7-21(20)30-25)24(29)26-19-14-10-17(2)11-15-19/h8-15H,3-7H2,1-2H3,(H,26,29)(H,27,28)
InChIKey TTZDWIHBDPTNOO-UHFFFAOYSA-N
Molecular Weight 418.555 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_2211
Solvent DMSO-d6
Source Vendor ID: ZI/8116339; Lab Info: DEC; Lab Number: DEC-dvv0338
Temperature 29.85 °C