| SpectraBase Compound ID | EbRrIV8rP1A |
|---|---|
| InChI | InChI=1S/C13H14O2/c1-13(2)9-11(14)8-12(15-13)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3 |
| InChIKey | SAVPNTPIHPPWJS-UHFFFAOYSA-N |
| Mol Weight | 202.25 g/mol |
| Molecular Formula | C13H14O2 |
| Exact Mass | 202.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4WkytnPrtVR |
|---|---|
| Name | 2,2-Dimethyl-6-phenyl-3H-pyran-4-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.099379689 u |
| Formula | C13H14O2 |
| InChI | InChI=1S/C13H14O2/c1-13(2)9-11(14)8-12(15-13)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3 |
| InChIKey | SAVPNTPIHPPWJS-UHFFFAOYSA-N |
| Molecular Weight | 202.253 g/mol |
| SMILES | C1(=CC(=O)CC(O1)(C)C)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94821 |