| SpectraBase Compound ID | H4xLFPd3i8S |
|---|---|
| InChI | InChI=1S/C11H14O/c1-9(12)11(2,3)10-7-5-4-6-8-10/h4-8H,1-3H3 |
| InChIKey | LWBNJLNAXDUONB-UHFFFAOYSA-N |
| Mol Weight | 162.23 g/mol |
| Molecular Formula | C11H14O |
| Exact Mass | 162.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 90LJiDzDB36 |
|---|---|
| Name | 2-Butanone, 3-methyl-3-phenyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.104465070 u |
| Formula | C11H14O |
| InChI | InChI=1S/C11H14O/c1-9(12)11(2,3)10-7-5-4-6-8-10/h4-8H,1-3H3 |
| InChIKey | LWBNJLNAXDUONB-UHFFFAOYSA-N |
| Molecular Weight | 162.232 g/mol |
| SMILES | C(C(=O)C)(C1=CC=CC=C1)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.909853 |