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2-{[(2-chlorophenoxy)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

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2-{[(2-chlorophenoxy)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
SpectraBase Compound ID IoIWhd9gBhG
InChI InChI=1S/C18H19ClN2O3S/c19-12-7-4-5-8-13(12)24-10-15(22)21-18-16(17(20)23)11-6-2-1-3-9-14(11)25-18/h4-5,7-8H,1-3,6,9-10H2,(H2,20,23)(H,21,22)
InChIKey LISXULOOSUONNS-UHFFFAOYSA-N
Mol Weight 378.87 g/mol
Molecular Formula C18H19ClN2O3S
Exact Mass 378.080491 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3yU4tRmzrEo
Name 2-{[(2-chlorophenoxy)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[B]thiophene-3-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.080491351 u
Formula C18H19ClN2O3S
InChI InChI=1S/C18H19ClN2O3S/c19-12-7-4-5-8-13(12)24-10-15(22)21-18-16(17(20)23)11-6-2-1-3-9-14(11)25-18/h4-5,7-8H,1-3,6,9-10H2,(H2,20,23)(H,21,22)
InChIKey LISXULOOSUONNS-UHFFFAOYSA-N
Molecular Weight 378.874 g/mol
SMILES N(C1=C(C(=O)N)C2=C(S1)CCCCC2)C(=O)COC=1C(Cl)=CC=CC1