| SpectraBase Spectrum ID |
WcqU2ewPnh |
| Name |
Phenylglyoxylic acid, neopentyl 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/c1-13(2,3)9-16-12(15)11(14)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3 |
| InChIKey |
UQZYEQXZUOGYDU-UHFFFAOYSA-N |
| Molecular Weight |
220.268 g/mol |
| SMILES |
C1=CC=CC(=C1)C(C(OCC(C)(C)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908342 |
