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

View entire compound with spectra: 2 NMR

bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[[[3-(aminocarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl]amino]carbonyl]-
SpectraBase Compound ID 6Dg3WSiCEm0
InChI InChI=1S/C19H22N2O4S/c20-16(22)15-11-4-2-1-3-5-12(11)26-18(15)21-17(23)13-9-6-7-10(8-9)14(13)19(24)25/h6-7,9-10,13-14H,1-5,8H2,(H2,20,22)(H,21,23)(H,24,25)
InChIKey DFZZQOHHWGVUOO-UHFFFAOYSA-N
Mol Weight 374.46 g/mol
Molecular Formula C19H22N2O4S
Exact Mass 374.130028 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Wj9pjviS7f
Name Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[[[3-(aminocarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[B]thien-2-yl]amino]carbonyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.130028366 u
Formula C19H22N2O4S
InChI InChI=1S/C19H22N2O4S/c20-16(22)15-11-4-2-1-3-5-12(11)26-18(15)21-17(23)13-9-6-7-10(8-9)14(13)19(24)25/h6-7,9-10,13-14H,1-5,8H2,(H2,20,22)(H,21,23)(H,24,25)
InChIKey DFZZQOHHWGVUOO-UHFFFAOYSA-N
Molecular Weight 374.455 g/mol
SMILES NC(C1=C(SC=2CCCCCC12)NC(C1C2C=CC(C1C(=O)O)C2)=O)=O