| SpectraBase Spectrum ID |
CvB2sjxA8YW |
| Name |
Benzoic acid, 3-hydroxy-, 3-methylbutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
208.109944372 u |
| Formula |
C12H16O3 |
| InChI |
InChI=1S/C12H16O3/c1-9(2)6-7-15-12(14)10-4-3-5-11(13)8-10/h3-5,8-9,13H,6-7H2,1-2H3 |
| InChIKey |
VVDCIVZOAMDIRF-UHFFFAOYSA-N |
| Molecular Weight |
208.257 g/mol |
| SMILES |
C1=C(C=CC=C1C(OCCC(C)C)=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890595 |
