| SpectraBase Compound ID | 3NzHQ1HbeYl |
|---|---|
| InChI | InChI=1S/C18H18O3/c1-3-7-14-10-11-16(17(12-14)20-2)21-18(19)13-15-8-5-4-6-9-15/h3-12H,13H2,1-2H3 |
| InChIKey | YYLCMLYMJHKLEJ-UHFFFAOYSA-N |
| Mol Weight | 282.34 g/mol |
| Molecular Formula | C18H18O3 |
| Exact Mass | 282.125594 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4qynOqogF0S |
|---|---|
| Name | Isoeugenyl phenylacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.125594437 u |
| Formula | C18H18O3 |
| InChI | InChI=1S/C18H18O3/c1-3-7-14-10-11-16(17(12-14)20-2)21-18(19)13-15-8-5-4-6-9-15/h3-12H,13H2,1-2H3 |
| InChIKey | YYLCMLYMJHKLEJ-UHFFFAOYSA-N |
| SMILES | C=1C=CC=CC1CC(=O)OC=1C=CC(C=CC)=CC1OC |
| Spectrum/Structure Validation Score (Raman) | 0.907096 |