![3-({[3-(methoxycarbonyl)-5-propyl-2-thienyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid](/api/spectrum/AYC4or3ngtx/structure.png?h=300&w=458 "3-({[3-(methoxycarbonyl)-5-propyl-2-thienyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid")
| SpectraBase Compound ID | fKB0MzLYbQ |
|---|---|
| InChI | InChI=1S/C18H23NO5S/c1-3-4-11-8-12(18(23)24-2)16(25-11)19-15(20)13-9-5-6-10(7-9)14(13)17(21)22/h8-10,13-14H,3-7H2,1-2H3,(H,19,20)(H,21,22)/t9-,10+,13-,14-/m1/s1 |
| InChIKey | FXXQCNHLQWABOO-RDBQEKCUSA-N |
| Mol Weight | 365.44 g/mol |
| Molecular Formula | C18H23NO5S |
| Exact Mass | 365.129694 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AYC4or3ngtx |
|---|---|
| Name | 3-({[3-(methoxycarbonyl)-5-propyl-2-thienyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 365.129694014 u |
| Formula | C18H23NO5S |
| InChI | InChI=1S/C18H23NO5S/c1-3-4-11-8-12(18(23)24-2)16(25-11)19-15(20)13-9-5-6-10(7-9)14(13)17(21)22/h8-10,13-14H,3-7H2,1-2H3,(H,19,20)(H,21,22)/t9-,10+,13-,14-/m1/s1 |
| InChIKey | FXXQCNHLQWABOO-RDBQEKCUSA-N |
| Molecular Weight | 365.444 g/mol |
| SMILES | N(C([C@]1([C@](C(=O)O)([C@@]2(C[C@]1(CC2)[H])[H])[H])[H])=O)C1=C(C=C(S1)CCC)C(=O)OC |