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Isopropyl 2-[(2-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

View entire compound with spectra: 2 NMR

Isopropyl 2-[(2-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID Apv3wGDs82x
InChI InChI=1S/C20H23NO4S/c1-12(2)25-20(23)17-14-9-5-7-11-16(14)26-19(17)21-18(22)13-8-4-6-10-15(13)24-3/h4,6,8,10,12H,5,7,9,11H2,1-3H3,(H,21,22)
InChIKey BZHHSVQHHFTZJO-UHFFFAOYSA-N
Mol Weight 373.47 g/mol
Molecular Formula C20H23NO4S
Exact Mass 373.134779 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CAIXGBIH3RO
Name Isopropyl 2-[(2-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 373.134779395 u
Formula C20H23NO4S
InChI InChI=1S/C20H23NO4S/c1-12(2)25-20(23)17-14-9-5-7-11-16(14)26-19(17)21-18(22)13-8-4-6-10-15(13)24-3/h4,6,8,10,12H,5,7,9,11H2,1-3H3,(H,21,22)
InChIKey BZHHSVQHHFTZJO-UHFFFAOYSA-N
Molecular Weight 373.467 g/mol
SMILES N(C1=C(C(OC(C)C)=O)C2=C(CCCC2)S1)C(C=1C(OC)=CC=CC1)=O