| SpectraBase Compound ID | KFXd3ViSJTg |
|---|---|
| InChI | InChI=1S/C10H12O/c1-8(9(2)11)10-6-4-3-5-7-10/h3-8H,1-2H3 |
| InChIKey | CVWMNAWLNRRPOL-UHFFFAOYSA-N |
| Mol Weight | 148.2 g/mol |
| Molecular Formula | C10H12O |
| Exact Mass | 148.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6aN6If8pr2f |
|---|---|
| Name | 2-Butanone, 3-phenyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 148.088815005 u |
| Formula | C10H12O |
| InChI | InChI=1S/C10H12O/c1-8(9(2)11)10-6-4-3-5-7-10/h3-8H,1-2H3 |
| InChIKey | CVWMNAWLNRRPOL-UHFFFAOYSA-N |
| Molecular Weight | 148.205 g/mol |
| SMILES | C(C(C)C1=CC=CC=C1)(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955862 |