| SpectraBase Compound ID | CVyIFUyV9rJ |
|---|---|
| InChI | InChI=1S/C12H16O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13/h4-7,9H,8H2,1-3H3 |
| InChIKey | KEAGRYYGYWZVPC-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 | JzinHIUEZxo |
|---|---|
| Name | 4'-Isobutylacetophenone |
| 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/c1-9(2)8-11-4-6-12(7-5-11)10(3)13/h4-7,9H,8H2,1-3H3 |
| InChIKey | KEAGRYYGYWZVPC-UHFFFAOYSA-N |
| Molecular Weight | 176.259 g/mol |
| SMILES | C=1C(=CC=C(C1)CC(C)C)C(C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.977039 |