| SpectraBase Compound ID | JlfmzUxvXNb |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-9(2)12(13)15-8-10-4-6-11(14-3)7-5-10/h4-7,9H,8H2,1-3H3 |
| InChIKey | ZOXXODFRADWDHG-UHFFFAOYSA-N |
| Mol Weight | 208.26 g/mol |
| Molecular Formula | C12H16O3 |
| Exact Mass | 208.109944 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BTspMNPRfa1 |
|---|---|
| Name | p-Methoxybenzyl alcohol, isobutyrate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.109944372 u |
| Formula | C12H16O3 |
| InChI | InChI=1S/C12H16O3/c1-9(2)12(13)15-8-10-4-6-11(14-3)7-5-10/h4-7,9H,8H2,1-3H3 |
| InChIKey | ZOXXODFRADWDHG-UHFFFAOYSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | C=1C(=CC=C(C1)OC)COC(C(C)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.921626 |