| SpectraBase Compound ID | DZ1sUqs72bH |
|---|---|
| InChI | InChI=1S/C14H20O2/c1-2-3-5-10-14(15)16-12-11-13-8-6-4-7-9-13/h4,6-9H,2-3,5,10-12H2,1H3 |
| InChIKey | BUYNWUMUDHPPDS-UHFFFAOYSA-N |
| Mol Weight | 220.31 g/mol |
| Molecular Formula | C14H20O2 |
| Exact Mass | 220.14633 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6wfxVf3GIgq |
|---|---|
| Name | Hexanoic acid, phenethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.146329882 u |
| Formula | C14H20O2 |
| InChI | InChI=1S/C14H20O2/c1-2-3-5-10-14(15)16-12-11-13-8-6-4-7-9-13/h4,6-9H,2-3,5,10-12H2,1H3 |
| InChIKey | BUYNWUMUDHPPDS-UHFFFAOYSA-N |
| Molecular Weight | 220.312 g/mol |
| SMILES | C=1C(=CC=CC1)CCOC(CCCCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.971821 |