| SpectraBase Compound ID | lCBH2ctUfQ |
|---|---|
| InChI | InChI=1S/C11H14O2/c1-8(2)10-5-4-6-11(7-10)13-9(3)12/h4-8H,1-3H3 |
| InChIKey | FZYWCPJQIBXOOC-UHFFFAOYSA-N |
| Mol Weight | 178.23 g/mol |
| Molecular Formula | C11H14O2 |
| Exact Mass | 178.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 24ol7i5F0cj |
|---|---|
| Name | Phenol, 3-(1-methylethyl)-, acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.099379689 u |
| Formula | C11H14O2 |
| InChI | InChI=1S/C11H14O2/c1-8(2)10-5-4-6-11(7-10)13-9(3)12/h4-8H,1-3H3 |
| InChIKey | FZYWCPJQIBXOOC-UHFFFAOYSA-N |
| Molecular Weight | 178.231 g/mol |
| SMILES | C1=C(C=C(C=C1)C(C)C)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.844079 |