| SpectraBase Compound ID | 9PRYO1sSLqF |
|---|---|
| InChI | InChI=1S/C11H14O/c1-9(2)11(12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| InChIKey | ZATIMOAGKJEVGN-UHFFFAOYSA-N |
| Mol Weight | 162.23 g/mol |
| Molecular Formula | C11H14O |
| Exact Mass | 162.104465 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9dvM9YxbTnM |
|---|---|
| Name | 3-Methyl-1-phenyl-2-butanone |
| 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(2)11(12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| InChIKey | ZATIMOAGKJEVGN-UHFFFAOYSA-N |
| Molecular Weight | 162.232 g/mol |
| SMILES | C=1C(=CC=CC1)CC(C(C)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.989078 |