| SpectraBase Spectrum ID |
If9jks667ak |
| Name |
Benzoic acid, (2,2-dimethyl-1,3-dioxolan-4-yl) methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.104858991 u |
| Formula |
C13H16O4 |
| InChI |
InChI=1S/C13H16O4/c1-13(2)16-9-11(17-13)8-15-12(14)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3 |
| InChIKey |
YOMCVAULZUXXDS-UHFFFAOYSA-N |
| Molecular Weight |
236.267 g/mol |
| SMILES |
C1=CC(C(OCC2COC(C)(O2)C)=O)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963932 |
