| SpectraBase Spectrum ID |
FkGWQAiA6Ea |
| Name |
2,2-Dimethylpropanoic acid 2-(4-hydroxyphenyl)ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.125594437 u |
| Formula |
C13H18O3 |
| InChI |
InChI=1S/C13H18O3/c1-13(2,3)12(15)16-9-8-10-4-6-11(14)7-5-10/h4-7,14H,8-9H2,1-3H3 |
| InChIKey |
FXQUHVDAKZNNNX-UHFFFAOYSA-N |
| Molecular Weight |
222.284 g/mol |
| SMILES |
C(C(C)(C)C)(=O)OCCC1=CC=C(C=C1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956408 |
