| SpectraBase Compound ID | IHJmZsbEJMf |
|---|---|
| InChI | InChI=1S/C13H18O2/c1-2-6-12(13(14)15)10-9-11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,14,15) |
| InChIKey | QHQWYLVUSIWEDA-UHFFFAOYSA-N |
| Mol Weight | 206.28 g/mol |
| Molecular Formula | C13H18O2 |
| Exact Mass | 206.13068 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 19x7pYuDEe |
|---|---|
| Name | 2-(2-phenylethyl)pentanoic acid |
| Alternate Name(s) | 2-Phenethylvaleric acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H18O2 |
| InChI | InChI=1S/C13H18O2/c1-2-6-12(13(14)15)10-9-11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,14,15) |
| InChIKey | QHQWYLVUSIWEDA-UHFFFAOYSA-N |
| Molecular Weight | 206.285 g/mol |
| SMILES | OC(=O)C(CCc1ccccc1)CCC |
| SPLASH | splash10-05fu-9400000000-dc1ffc5d5bf49274bac7 |
| Source of Spectrum | J-63-8593-11 |
| Wiley ID | 1204850 |