| SpectraBase Compound ID | Db6rd3xse56 |
|---|---|
| InChI | InChI=1S/C10H9NO2/c11-5-4-8-2-1-3-9(6-8)7-10(12)13/h1-3,6H,4,7H2,(H,12,13) |
| InChIKey | OVJSBWBYGGGKDF-UHFFFAOYSA-N |
| Mol Weight | 175.19 g/mol |
| Molecular Formula | C10H9NO2 |
| Exact Mass | 175.063329 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Lls7SeMw9Uw |
|---|---|
| Name | m-Cyanomethylphenylacetic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H9NO2 |
| InChI | InChI=1S/C10H9NO2/c11-5-4-8-2-1-3-9(6-8)7-10(12)13/h1-3,6H,4,7H2,(H,12,13) |
| InChIKey | OVJSBWBYGGGKDF-UHFFFAOYSA-N |
| Molecular Weight | 175.187 g/mol |
| SMILES | OC(Cc1cc(CC#N)ccc1)=O |
| SPLASH | splash10-001i-0900000000-2a29db7bf5d86188f6a5 |
| Source of Spectrum | KC-0-3203-10 |
| Synonyms | [3-(cyanomethyl)phenyl]acetic acid |
| Wiley ID | 823834 |