| 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 | Fi1WIhz5gVW |
|---|---|
| Name | 3-Phenylheptanoic acid |
| CAS Registry Number | 5638-30-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. 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 | 206.285 g/mol |
| SMILES | OC(CC(c1ccccc1)CCCC)=O |
| SPLASH | splash10-0a4m-6900000000-435977fbe55400e003c0 |
| Synonyms | 3-Phenylenanthic acid |
| Wiley ID | 1479904 |