| SpectraBase Compound ID | KS1CI2nbHfj |
|---|---|
| InChI | InChI=1S/C10H12O2/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7,11H,2-3H2,1H3 |
| InChIKey | GFBLPULLSAPXDC-UHFFFAOYSA-N |
| Mol Weight | 164.2 g/mol |
| Molecular Formula | C10H12O2 |
| Exact Mass | 164.08373 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | AvVIsNMnlNh |
|---|---|
| Name | 4'-Hydroxybutyrophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.083729624 u |
| Formula | C10H12O2 |
| InChI | InChI=1S/C10H12O2/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7,11H,2-3H2,1H3 |
| InChIKey | GFBLPULLSAPXDC-UHFFFAOYSA-N |
| Molecular Weight | 164.204 g/mol |
| SMILES | OC=1C=CC(=CC1)C(CCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.992167 |