| SpectraBase Compound ID | 2V8E8cJOvVC |
|---|---|
| InChI | InChI=1S/C11H14O/c1-2-6-11(12)9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3 |
| InChIKey | NFKAWBGFIMBUMB-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 | IWYIjqRKnSE |
|---|---|
| Name | 1-Phenyl-2-pentanone |
| 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/c1-2-6-11(12)9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3 |
| InChIKey | NFKAWBGFIMBUMB-UHFFFAOYSA-N |
| Molecular Weight | 162.232 g/mol |
| SMILES | C(C=1C=CC=CC1)C(CCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.992621 |