| SpectraBase Compound ID | A7usLxEoy4b |
|---|---|
| InChI | InChI=1S/C12H16O/c1-3-12(13)10(2)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3 |
| InChIKey | DTLXHCFHRITUHW-UHFFFAOYSA-N |
| Mol Weight | 176.26 g/mol |
| Molecular Formula | C12H16O |
| Exact Mass | 176.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Fzzj6eM283L |
|---|---|
| Name | (R)- and (S)-1-Phenyl-2-methyl-3-pentanone |
| 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/c1-3-12(13)10(2)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3 |
| InChIKey | DTLXHCFHRITUHW-UHFFFAOYSA-N |
| Molecular Weight | 176.259 g/mol |
| SMILES | C(C(C(CC)=O)C)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.911897 |