| SpectraBase Compound ID | 6JcWNlnmLdL |
|---|---|
| InChI | InChI=1S/C13H16O/c1-10(2)11(3)9-13(14)12-7-5-4-6-8-12/h4-8H,9H2,1-3H3 |
| InChIKey | OCHGQWPUPJCFGF-UHFFFAOYSA-N |
| Mol Weight | 188.27 g/mol |
| Molecular Formula | C13H16O |
| Exact Mass | 188.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | D91RbsOOKJz |
|---|---|
| Name | 2,3-Dimethylbut-2-enyl phenyl ketone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.120115134 u |
| Formula | C13H16O |
| InChI | InChI=1S/C13H16O/c1-10(2)11(3)9-13(14)12-7-5-4-6-8-12/h4-8H,9H2,1-3H3 |
| InChIKey | OCHGQWPUPJCFGF-UHFFFAOYSA-N |
| Molecular Weight | 188.270 g/mol |
| SMILES | C(CC(=O)C=1C=CC=CC1)(=C(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.884502 |