| SpectraBase Compound ID | 8FXjH79nXQM |
|---|---|
| InChI | InChI=1S/C14H18O3/c15-13(8-4-5-9-14(16)17)11-10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,16,17) |
| InChIKey | CYZPXTAZBVRCBH-UHFFFAOYSA-N |
| Mol Weight | 234.29 g/mol |
| Molecular Formula | C14H18O3 |
| Exact Mass | 234.125594 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5Wiv4qyynia |
|---|---|
| Name | OCTANOIC ACID, 6-OXO-8-PHENYL- |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C14H18O3 |
| InChI | InChI=1S/C14H18O3/c15-13(8-4-5-9-14(16)17)11-10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,16,17) |
| InChIKey | CYZPXTAZBVRCBH-UHFFFAOYSA-N |
| Molecular Weight | 234.1251 |
| SMILES | OC(=O)CCCCC(=O)CCc1ccccc1 |
| SPLASH | splash10-0a5c-9710000000-ec2e5f7953261ba16d7b |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |