| SpectraBase Compound ID | KChzIucsj42 |
|---|---|
| InChI | InChI=1S/C11H16O/c1-4-10-5-8(2)11(7-12)9(3)6-10/h5-6,12H,4,7H2,1-3H3 |
| InChIKey | CEZGQPXODSUPKF-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 | LWARyW2m1h6 |
|---|---|
| Name | Benzenemethanol, 4-ethyl-2,6-dimethyl- |
| 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/c1-4-10-5-8(2)11(7-12)9(3)6-10/h5-6,12H,4,7H2,1-3H3 |
| InChIKey | CEZGQPXODSUPKF-UHFFFAOYSA-N |
| Molecular Weight | 164.248 g/mol |
| SMILES | C=1(C(=CC(=CC1C)CC)C)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945185 |