| SpectraBase Compound ID | 8uH2YiBeItl |
|---|---|
| InChI | InChI=1S/C12H12N2O3/c13-8-9-4-1-2-5-10(9)14-11(15)6-3-7-12(16)17/h1-2,4-5H,3,6-7H2,(H,14,15)(H,16,17) |
| InChIKey | LOZXDWGSQRJCPC-UHFFFAOYSA-N |
| Mol Weight | 232.24 g/mol |
| Molecular Formula | C12H12N2O3 |
| Exact Mass | 232.084792 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4e73hDo0pEf |
|---|---|
| Name | Butyric acid, 4-(2-cyanophenylcarbamoyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.084792251 u |
| Formula | C12H12N2O3 |
| InChI | InChI=1S/C12H12N2O3/c13-8-9-4-1-2-5-10(9)14-11(15)6-3-7-12(16)17/h1-2,4-5H,3,6-7H2,(H,14,15)(H,16,17) |
| InChIKey | LOZXDWGSQRJCPC-UHFFFAOYSA-N |
| Molecular Weight | 232.239 g/mol |
| SMILES | C1=CC=C(C#N)C(=C1)NC(=O)CCCC(=O)O |