| SpectraBase Spectrum ID |
PwijJzqXrp |
| Name |
Benzoic acid, 4,4-dimethylpent-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.146329882 u |
| Formula |
C14H20O2 |
| InChI |
InChI=1S/C14H20O2/c1-11(10-14(2,3)4)16-13(15)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3 |
| InChIKey |
GZYLCJLBBIWGJZ-UHFFFAOYSA-N |
| Molecular Weight |
220.312 g/mol |
| SMILES |
CC(C)(CC(OC(C1=CC=CC=C1)=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976974 |
