![3-({[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid](/api/spectrum/A0m6OKe240X/structure.png?h=300&w=458 "3-({[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid")
| SpectraBase Compound ID | 8pv1yt7yBXp |
|---|---|
| InChI | InChI=1S/C16H20N2O4S/c1-6-7(2)23-15(10(6)13(17)19)18-14(20)11-8-3-4-9(5-8)12(11)16(21)22/h8-9,11-12H,3-5H2,1-2H3,(H2,17,19)(H,18,20)(H,21,22)/t8-,9+,11-,12-/m1/s1 |
| InChIKey | BYBWDJBPMCUDAT-RBLKWDMZSA-N |
| Mol Weight | 336.41 g/mol |
| Molecular Formula | C16H20N2O4S |
| Exact Mass | 336.114378 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A0m6OKe240X |
|---|---|
| Name | 3-({[3-(aminocarbonyl)-4,5-dimethyl-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 | 336.114378302 u |
| Formula | C16H20N2O4S |
| InChI | InChI=1S/C16H20N2O4S/c1-6-7(2)23-15(10(6)13(17)19)18-14(20)11-8-3-4-9(5-8)12(11)16(21)22/h8-9,11-12H,3-5H2,1-2H3,(H2,17,19)(H,18,20)(H,21,22)/t8-,9+,11-,12-/m1/s1 |
| InChIKey | BYBWDJBPMCUDAT-RBLKWDMZSA-N |
| SMILES | N(C1=C(C(=O)N)C(=C(S1)C)C)C([C@]1([C@](C(=O)O)([C@@]2(C[C@]1(CC2)[H])[H])[H])[H])=O |