| SpectraBase Compound ID | Af95VSYPnDv |
|---|---|
| InChI | InChI=1S/C11H16O/c1-6-7(2)9(4)11(12)10(5)8(6)3/h12H,1-5H3 |
| InChIKey | WALBTDFSFTVXII-UHFFFAOYSA-N |
| Mol Weight | 164.25 g/mol |
| Molecular Formula | C11H16O |
| Exact Mass | 164.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AoDA96hrOE5 |
|---|---|
| Name | 2,3,4,5,6-Pentamethylphenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.120115134 u |
| Formula | C11H16O |
| InChI | InChI=1S/C11H16O/c1-6-7(2)9(4)11(12)10(5)8(6)3/h12H,1-5H3 |
| InChIKey | WALBTDFSFTVXII-UHFFFAOYSA-N |
| Molecular Weight | 164.248 g/mol |
| SMILES | C1(=C(C(=C(C(=C1C)C)C)C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965923 |