| SpectraBase Spectrum ID |
L1pGV8Ptngq |
| Name |
Methyl 3-methyl-5-oxo-5-phenylpentanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.109944372 u |
| Formula |
C13H16O3 |
| InChI |
InChI=1S/C13H16O3/c1-10(9-13(15)16-2)8-12(14)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3 |
| InChIKey |
ALNDZUCXUVJBGY-UHFFFAOYSA-N |
| Molecular Weight |
220.268 g/mol |
| SMILES |
C(CC(CC(C=1C=CC=CC1)=O)C)(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974652 |
