| SpectraBase Compound ID | 8cEcHmWtPYW |
|---|---|
| InChI | InChI=1S/C10H9NO2/c1-2-13-10(12)9-6-4-3-5-8(9)7-11/h3-6H,2H2,1H3 |
| InChIKey | RQQAJOJDAZNFPF-UHFFFAOYSA-N |
| Mol Weight | 175.19 g/mol |
| Molecular Formula | C10H9NO2 |
| Exact Mass | 175.063329 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5N6e89NlQbB |
|---|---|
| Name | Benzoic acid, 2-cyano-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.063328532 u |
| Formula | C10H9NO2 |
| InChI | InChI=1S/C10H9NO2/c1-2-13-10(12)9-6-4-3-5-8(9)7-11/h3-6H,2H2,1H3 |
| InChIKey | RQQAJOJDAZNFPF-UHFFFAOYSA-N |
| Molecular Weight | 175.187 g/mol |
| SMILES | C1=C(C(=CC=C1)C(=O)OCC)C#N |