| SpectraBase Compound ID | 6JWptegdkUJ |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-12(2,3)11(14)10(13)9-7-5-4-6-8-9/h4-8,10,13H,1-3H3 |
| InChIKey | OMCHIZWOLPZRHK-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 | FAuz58ugHXe |
|---|---|
| Name | 1-Hydroxy-3,3-dimethyl-1-phenyl-2-butanone |
| 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/c1-12(2,3)11(14)10(13)9-7-5-4-6-8-9/h4-8,10,13H,1-3H3 |
| InChIKey | OMCHIZWOLPZRHK-UHFFFAOYSA-N |
| Molecular Weight | 192.258 g/mol |
| SMILES | C(C(C1=CC=CC=C1)O)(C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.852603 |