| SpectraBase Compound ID | L4NbDsTwAvs |
|---|---|
| InChI | InChI=1S/C10H12O2/c1-8-5-3-4-6-10(8)7-12-9(2)11/h3-6H,7H2,1-2H3 |
| InChIKey | BKKDUUVBVHYZFA-UHFFFAOYSA-N |
| Mol Weight | 164.2 g/mol |
| Molecular Formula | C10H12O2 |
| Exact Mass | 164.08373 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HnygMHaHlLB |
|---|---|
| Name | Benzenemethanol, 2-methyl-, acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.083729624 u |
| Formula | C10H12O2 |
| InChI | InChI=1S/C10H12O2/c1-8-5-3-4-6-10(8)7-12-9(2)11/h3-6H,7H2,1-2H3 |
| InChIKey | BKKDUUVBVHYZFA-UHFFFAOYSA-N |
| Molecular Weight | 164.204 g/mol |
| SMILES | C1(=C(C=CC=C1)C)COC(C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.907347 |