| SpectraBase Compound ID | 1JSLe9QYbnf |
|---|---|
| InChI | InChI=1S/C11H14O2/c1-11(2)6-5-8-7-9(12)3-4-10(8)13-11/h3-4,7,12H,5-6H2,1-2H3 |
| InChIKey | FKUWKXIPPULUCW-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 | 4ca3AcgqP1p |
|---|---|
| Name | 2,2-Dimethylchromanol |
| 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/c1-11(2)6-5-8-7-9(12)3-4-10(8)13-11/h3-4,7,12H,5-6H2,1-2H3 |
| InChIKey | FKUWKXIPPULUCW-UHFFFAOYSA-N |
| Molecular Weight | 178.231 g/mol |
| SMILES | C=12OC(CCC2=CC(=CC1)O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.836187 |