| SpectraBase Compound ID | G1neO4jkDuk |
|---|---|
| InChI | InChI=1S/C12H16O/c1-5-11(13)12-9(3)6-8(2)7-10(12)4/h6-7H,5H2,1-4H3 |
| InChIKey | BMMJTVCPHGOCSW-UHFFFAOYSA-N |
| Mol Weight | 176.26 g/mol |
| Molecular Formula | C12H16O |
| Exact Mass | 176.120115 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 71kHCFCusil |
|---|---|
| Name | 2,4,6-Trimethylpropiophenon |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.120115134 u |
| Formula | C12H16O |
| InChI | InChI=1S/C12H16O/c1-5-11(13)12-9(3)6-8(2)7-10(12)4/h6-7H,5H2,1-4H3 |
| InChIKey | BMMJTVCPHGOCSW-UHFFFAOYSA-N |
| Molecular Weight | 176.259 g/mol |
| SMILES | C(=O)(CC)C1=C(C)C=C(C)C=C1C |
| Spectrum/Structure Validation Score (Raman) | 0.973641 |