| SpectraBase Compound ID | s1i7Xwea0i |
|---|---|
| InChI | InChI=1S/C12H16O/c1-3-4-5-12(13)11-8-6-10(2)7-9-11/h6-9H,3-5H2,1-2H3 |
| InChIKey | BCVCZJADTSTKNH-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 | HIMhe8qtmUY |
|---|---|
| Name | 4'-Methylvalerophenone |
| 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/c1-3-4-5-12(13)11-8-6-10(2)7-9-11/h6-9H,3-5H2,1-2H3 |
| InChIKey | BCVCZJADTSTKNH-UHFFFAOYSA-N |
| Molecular Weight | 176.259 g/mol |
| SMILES | C=1C(=CC=C(C1)C)C(CCCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.994943 |