| SpectraBase Compound ID | 8HPQXyRVgf1 |
|---|---|
| InChI | InChI=1S/C18H24O2/c1-15(2)8-7-9-16(3)14-18(19)20-13-12-17-10-5-4-6-11-17/h4-6,8,10-11,14H,7,9,12-13H2,1-3H3/b16-14+ |
| InChIKey | INEYYHSYQXYHAG-JQIJEIRASA-N |
| Mol Weight | 272.39 g/mol |
| Molecular Formula | C18H24O2 |
| Exact Mass | 272.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BNXgZZiGwnV |
|---|---|
| Name | Geranic acid, 2-phenylethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.177630011 u |
| Formula | C18H24O2 |
| InChI | InChI=1S/C18H24O2/c1-15(2)8-7-9-16(3)14-18(19)20-13-12-17-10-5-4-6-11-17/h4-6,8,10-11,14H,7,9,12-13H2,1-3H3/b16-14+ |
| InChIKey | INEYYHSYQXYHAG-JQIJEIRASA-N |
| SMILES | C(\C=C/(C)CCC=C(C)C)(=O)OCCC1=CC=CC=C1 |