| SpectraBase Compound ID | Gu9m4LTYCb9 |
|---|---|
| InChI | InChI=1S/C16H24O2/c1-2-3-4-5-9-12-16(17)18-14-13-15-10-7-6-8-11-15/h6-8,10-11H,2-5,9,12-14H2,1H3 |
| InChIKey | ASETYIALRXDVDF-UHFFFAOYSA-N |
| Mol Weight | 248.37 g/mol |
| Molecular Formula | C16H24O2 |
| Exact Mass | 248.17763 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1Eyddvi5Bgg |
|---|---|
| Name | Phenethyl octanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.177630011 u |
| Formula | C16H24O2 |
| InChI | InChI=1S/C16H24O2/c1-2-3-4-5-9-12-16(17)18-14-13-15-10-7-6-8-11-15/h6-8,10-11H,2-5,9,12-14H2,1H3 |
| InChIKey | ASETYIALRXDVDF-UHFFFAOYSA-N |
| Molecular Weight | 248.366 g/mol |
| SMILES | C(CCCCCCC)(=O)OCCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.967702 |