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3-({[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

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3-({[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SpectraBase Compound ID G1TRjYqZRJ8
InChI InChI=1S/C20H23NO5S/c1-26-20(25)16-12-5-3-2-4-6-13(12)27-18(16)21-17(22)14-10-7-8-11(9-10)15(14)19(23)24/h7-8,10-11,14-15H,2-6,9H2,1H3,(H,21,22)(H,23,24)
InChIKey QNCPGOIWERLDBR-UHFFFAOYSA-N
Mol Weight 389.47 g/mol
Molecular Formula C20H23NO5S
Exact Mass 389.129694 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3T5dkZ31Urz
Name 3-({[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[B]thien-2-yl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 389.129694014 u
Formula C20H23NO5S
InChI InChI=1S/C20H23NO5S/c1-26-20(25)16-12-5-3-2-4-6-13(12)27-18(16)21-17(22)14-10-7-8-11(9-10)15(14)19(23)24/h7-8,10-11,14-15H,2-6,9H2,1H3,(H,21,22)(H,23,24)
InChIKey QNCPGOIWERLDBR-UHFFFAOYSA-N
Molecular Weight 389.466 g/mol
SMILES N(C(C1C2C=CC(C1C(=O)O)C2)=O)C1=C(C=2CCCCCC2S1)C(=O)OC