| SpectraBase Spectrum ID |
G4tTeKP3tTU |
| Name |
Phenylglyoxylic acid, 3-methylbutyl ester |
| 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(2)8-9-16-13(15)12(14)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3 |
| InChIKey |
DPXANPFIPVVIHM-UHFFFAOYSA-N |
| Molecular Weight |
220.268 g/mol |
| SMILES |
C1=CC=CC(=C1)C(C(OCCC(C)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.847975 |
