| SpectraBase Compound ID | GEKZuIOYVfg |
|---|---|
| InChI | InChI=1S/C13H18O2/c14-13(15)11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2,(H,14,15) |
| InChIKey | ZVSXKFNTWOIGJI-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 | Iv8oFF0jVIl |
|---|---|
| Name | 7-Phenylheptanoic acid |
| CAS Registry Number | 40228-90-8 |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H18O2 |
| InChI | InChI=1S/C13H18O2/c14-13(15)11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2,(H,14,15) |
| InChIKey | ZVSXKFNTWOIGJI-UHFFFAOYSA-N |
| Molecular Weight | 206.285 g/mol |
| SMILES | OC(CCCCCCc1ccccc1)=O |
| SPLASH | splash10-0006-9010000000-5ca56b60c9b092fc0656 |
| Source of Spectrum | E1-45-691-0 |
| Synonyms | 7-phenylenanthic acid |
| Wiley ID | 1553759 |