| SpectraBase Compound ID | C3gwGk1M10l |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-9(13)12(2,3)11(14)10-7-5-4-6-8-10/h4-9,13H,1-3H3 |
| InChIKey | PKPITIVXTVOBAI-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 | Ah9jdYnHudj |
|---|---|
| Name | 3-Hydroxy-2,2-dimethyl-1-phenyl-1-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/c1-9(13)12(2,3)11(14)10-7-5-4-6-8-10/h4-9,13H,1-3H3 |
| InChIKey | PKPITIVXTVOBAI-UHFFFAOYSA-N |
| Molecular Weight | 192.258 g/mol |
| SMILES | C(C(=O)C1=CC=CC=C1)(C(O)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945742 |