| SpectraBase Compound ID | 4UESvJn1WHX |
|---|---|
| InChI | InChI=1S/C8H10O/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3 |
| InChIKey | GQKZBCPTCWJTAS-UHFFFAOYSA-N |
| Mol Weight | 122.17 g/mol |
| Molecular Formula | C8H10O |
| Exact Mass | 122.073165 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 23cZ1hGIJAC |
|---|---|
| Name | Benzyl methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 122.073164941 u |
| Formula | C8H10O |
| InChI | InChI=1S/C8H10O/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3 |
| InChIKey | GQKZBCPTCWJTAS-UHFFFAOYSA-N |
| Molecular Weight | 122.167 g/mol |
| SMILES | C=1C(=CC=CC1)COC |
| Spectrum/Structure Validation Score (Raman) | 0.98819 |