| SpectraBase Compound ID | JxojRBwvUjU |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-9(2)12(13)15-8-10-5-4-6-11(7-10)14-3/h4-7,9H,8H2,1-3H3 |
| InChIKey | LEWHYAQFRKPKIU-UHFFFAOYSA-N |
| Mol Weight | 208.26 g/mol |
| Molecular Formula | C12H16O3 |
| Exact Mass | 208.109944 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 98sSvD3BLjg |
|---|---|
| Name | 3-Methoxybenzyl alcohol, 2-methylpropionate |
| 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)15-8-10-5-4-6-11(7-10)14-3/h4-7,9H,8H2,1-3H3 |
| InChIKey | LEWHYAQFRKPKIU-UHFFFAOYSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | C1=C(C=CC=C1COC(C(C)C)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.91278 |