| SpectraBase Compound ID | 6d5pGSgJG87 |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-3-7-12(13)14-10(2)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3 |
| InChIKey | GGKADXREVJTZMF-UHFFFAOYSA-N |
| Mol Weight | 192.26 g/mol |
| Molecular Formula | C12H16O2 |
| Exact Mass | 192.11503 g/mol |
Raman Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | BsiEMilZ944 |
|---|---|
| Name | A-Methylbenzyl alcohol, butyrate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.115029753 u |
| Formula | C12H16O2 |
| InChI | InChI=1S/C12H16O2/c1-3-7-12(13)14-10(2)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3 |
| InChIKey | GGKADXREVJTZMF-UHFFFAOYSA-N |
| Molecular Weight | 192.258 g/mol |
| SMILES | C=1C(=CC=CC1)C(OC(CCC)=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.910468 |