| SpectraBase Compound ID | HlfahQ2mqiJ |
|---|---|
| InChI | InChI=1S/C13H18O2/c1-2-3-7-12(10-13(14)15)11-8-5-4-6-9-11/h4-6,8-9,12H,2-3,7,10H2,1H3,(H,14,15) |
| InChIKey | YEUNYNJOKMJRMC-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 | BbObQvRXyua |
|---|---|
| Name | 3-PHENYLHEPTANOIC ACID |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C13H18O2 |
| InChI | InChI=1S/C13H18O2/c1-2-3-7-12(10-13(14)15)11-8-5-4-6-9-11/h4-6,8-9,12H,2-3,7,10H2,1H3,(H,14,15) |
| InChIKey | YEUNYNJOKMJRMC-UHFFFAOYSA-N |
| Molecular Weight | 206.1302 |
| SMILES | OC(=O)CC(CCCC)c1ccccc1 |
| SPLASH | splash10-0a4m-6900000000-9cb280a32045e202f717 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |