| SpectraBase Compound ID | 2c6fsvAdEoM |
|---|---|
| InChI | InChI=1S/C12H19NO3/c1-9(12(15)16)7-8-11(14)13-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3,(H,13,14)(H,15,16)/b9-7+ |
| InChIKey | SPAPMDZZJFEFNU-VQHVLOKHSA-N |
| Mol Weight | 225.29 g/mol |
| Molecular Formula | C12H19NO3 |
| Exact Mass | 225.136493 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3LJDGIi9Rrn |
|---|---|
| Name | (E)-4-(Cyclohexylcarbamoyl)-2-methylbut-2-enoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.136493473 u |
| Formula | C12H19NO3 |
| InChI | InChI=1S/C12H19NO3/c1-9(12(15)16)7-8-11(14)13-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3,(H,13,14)(H,15,16)/b9-7+ |
| InChIKey | SPAPMDZZJFEFNU-VQHVLOKHSA-N |
| Molecular Weight | 225.288 g/mol |
| SMILES | C(\C(=C\CC(NC1CCCCC1)=O)C)(=O)O |