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4H-cyclopenta[b]thiophene-3-carboxamide, 2-[[(4-ethoxyphenyl)methyl]amino]-5,6-dihydro-N-(4-methoxyphenyl)-
SpectraBase Compound ID 9qBNQnJM9L9
InChI InChI=1S/C24H26N2O3S/c1-3-29-19-11-7-16(8-12-19)15-25-24-22(20-5-4-6-21(20)30-24)23(27)26-17-9-13-18(28-2)14-10-17/h7-14,25H,3-6,15H2,1-2H3,(H,26,27)
InChIKey CSHROOQTNOHMQZ-UHFFFAOYSA-N
Mol Weight 422.54 g/mol
Molecular Formula C24H26N2O3S
Exact Mass 422.166414 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1pzEX6Nu9ZI
Name 4H-Cyclopenta[B]thiophene-3-carboxamide, 2-[[(4-ethoxyphenyl)methyl]amino]-5,6-dihydro-N-(4-methoxyphenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.166413876 u
Formula C24H26N2O3S
InChI InChI=1S/C24H26N2O3S/c1-3-29-19-11-7-16(8-12-19)15-25-24-22(20-5-4-6-21(20)30-24)23(27)26-17-9-13-18(28-2)14-10-17/h7-14,25H,3-6,15H2,1-2H3,(H,26,27)
InChIKey CSHROOQTNOHMQZ-UHFFFAOYSA-N
Molecular Weight 422.543 g/mol
SMILES N(C1=C(C(NC=2C=CC(=CC2)OC)=O)C2=C(S1)CCC2)CC=1C=CC(=CC1)OCC