| SpectraBase Compound ID | G1OIMPUKE76 |
|---|---|
| InChI | InChI=1S/C11H14O/c1-3-4-11(12)10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3 |
| InChIKey | CIYAESDXUTVTAL-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 | 9B91YgRmIkX |
|---|---|
| Name | 4'-Methylbutyrophenone |
| 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/c1-3-4-11(12)10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3 |
| InChIKey | CIYAESDXUTVTAL-UHFFFAOYSA-N |
| Molecular Weight | 162.232 g/mol |
| SMILES | C=1C(=CC=C(C1)C)C(CCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.990544 |