| SpectraBase Compound ID | FozSRkGPKaS |
|---|---|
| InChI | InChI=1S/C18H24O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,8,10-12H,7,9,13-14H2,1-3H3/b16-12+ |
| InChIKey | UXAIJXIHZDZMSK-FOWTUZBSSA-N |
| Mol Weight | 272.39 g/mol |
| Molecular Formula | C18H24O2 |
| Exact Mass | 272.17763 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1CP3T6UNW5U |
|---|---|
| Name | Phenylacetic acid, geranyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| 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)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,8,10-12H,7,9,13-14H2,1-3H3/b16-12+ |
| InChIKey | UXAIJXIHZDZMSK-FOWTUZBSSA-N |
| SMILES | C=1C(=CC=CC1)CC(OC\C=C\(CCC=C(C)C)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.787985 |