| SpectraBase Compound ID | 3lBgiCbyrgS |
|---|---|
| InChI | InChI=1S/C13H18O2/c1-2-3-4-5-6-11-7-9-12(10-8-11)13(14)15/h7-10H,2-6H2,1H3,(H,14,15) |
| InChIKey | CPEPWESLFZVUEP-UHFFFAOYSA-N |
| Mol Weight | 206.28 g/mol |
| Molecular Formula | C13H18O2 |
| Exact Mass | 206.13068 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9QggQVhuV4 |
|---|---|
| Name | Benzoic acid, 4-hexyl- |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H18O2 |
| InChI | InChI=1S/C13H18O2/c1-2-3-4-5-6-11-7-9-12(10-8-11)13(14)15/h7-10H,2-6H2,1H3,(H,14,15) |
| InChIKey | CPEPWESLFZVUEP-UHFFFAOYSA-N |
| Molecular Weight | 206.285 g/mol |
| SMILES | OC(c1ccc(CCCCCC)cc1)=O |
| SPLASH | splash10-000l-6920000000-52f79e8c5f3b36684c8b |
| Source of Spectrum | JX-2015-5-827 |
| Synonyms | 4-Hexylbenzoic acid |
| Wiley ID | 1727577 |