![3-({[3-(ethoxycarbonyl)-5-propyl-2-thienyl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid](/api/spectrum/6pbZ2f2jr3a/structure.png?h=300&w=458 "3-({[3-(ethoxycarbonyl)-5-propyl-2-thienyl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid")
| SpectraBase Compound ID | IN6ljscDMhY |
|---|---|
| InChI | InChI=1S/C19H23NO5S/c1-3-5-12-9-13(19(24)25-4-2)17(26-12)20-16(21)14-10-6-7-11(8-10)15(14)18(22)23/h6-7,9-11,14-15H,3-5,8H2,1-2H3,(H,20,21)(H,22,23)/t10-,11+,14-,15-/m0/s1 |
| InChIKey | VRTBPAYZWOEYMI-JLUCKKNBSA-N |
| Mol Weight | 377.46 g/mol |
| Molecular Formula | C19H23NO5S |
| Exact Mass | 377.129694 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6pbZ2f2jr3a |
|---|---|
| Name | 3-({[3-(ethoxycarbonyl)-5-propyl-2-thienyl]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 | 377.129694014 u |
| Formula | C19H23NO5S |
| InChI | InChI=1S/C19H23NO5S/c1-3-5-12-9-13(19(24)25-4-2)17(26-12)20-16(21)14-10-6-7-11(8-10)15(14)18(22)23/h6-7,9-11,14-15H,3-5,8H2,1-2H3,(H,20,21)(H,22,23)/t10-,11+,14-,15-/m0/s1 |
| InChIKey | VRTBPAYZWOEYMI-JLUCKKNBSA-N |
| Molecular Weight | 377.455 g/mol |
| SMILES | N(C1=C(C=C(CCC)S1)C(=O)OCC)C([C@@]1([C@@](C(=O)O)([C@]2(C[C@@]1(C=C2)[H])[H])[H])[H])=O |