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4H-cyclohepta[b]thiophene-3-carboxamide, N-(2-ethoxyphenyl)-5,6,7,8-tetrahydro-2-[(3-methylbenzoyl)amino]-
SpectraBase Compound ID HQ7bwgNwVgY
InChI InChI=1S/C26H28N2O3S/c1-3-31-21-14-8-7-13-20(21)27-25(30)23-19-12-5-4-6-15-22(19)32-26(23)28-24(29)18-11-9-10-17(2)16-18/h7-11,13-14,16H,3-6,12,15H2,1-2H3,(H,27,30)(H,28,29)
InChIKey KMKWNHBQBOJHRB-UHFFFAOYSA-N
Mol Weight 448.58 g/mol
Molecular Formula C26H28N2O3S
Exact Mass 448.182064 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CI4Gz4zR5sb
Name 4H-cyclohepta[b]thiophene-3-carboxamide, N-(2-ethoxyphenyl)-5,6,7,8-tetrahydro-2-[(3-methylbenzoyl)amino]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 448.182063941 u
Formula C26H28N2O3S
InChI InChI=1S/C26H28N2O3S/c1-3-31-21-14-8-7-13-20(21)27-25(30)23-19-12-5-4-6-15-22(19)32-26(23)28-24(29)18-11-9-10-17(2)16-18/h7-11,13-14,16H,3-6,12,15H2,1-2H3,(H,27,30)(H,28,29)
InChIKey KMKWNHBQBOJHRB-UHFFFAOYSA-N
Molecular Weight 448.581 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8074
Solvent DMSO-d6
Source Vendor ID: NMR/9290918; Lab Info: DEC; Lab Number: DEC-S001100
Temperature 29.85 °C