| SpectraBase Compound ID | 5mRmnkixJ2a |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-9(2)12(13)14-8-11-6-4-5-10(3)7-11/h4-7,9H,8H2,1-3H3 |
| InChIKey | KMJUHJMPPMAYQB-UHFFFAOYSA-N |
| Mol Weight | 192.26 g/mol |
| Molecular Formula | C12H16O2 |
| Exact Mass | 192.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8T7s4hb9B8D |
|---|---|
| Name | 3-Methylbenzyl alcohol, 2-methylpropionate |
| 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/c1-9(2)12(13)14-8-11-6-4-5-10(3)7-11/h4-7,9H,8H2,1-3H3 |
| InChIKey | KMJUHJMPPMAYQB-UHFFFAOYSA-N |
| Molecular Weight | 192.258 g/mol |
| SMILES | C1=C(C=CC=C1COC(C(C)C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.830073 |