| SpectraBase Spectrum ID |
2c6QiAaiRWa |
| Name |
4-Ethylbenzoic acid, 2,2-dimethylpropyl 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/c1-5-11-6-8-12(9-7-11)13(15)16-10-14(2,3)4/h6-9H,5,10H2,1-4H3 |
| InChIKey |
QQERUDMQWULXOC-UHFFFAOYSA-N |
| Molecular Weight |
220.312 g/mol |
| SMILES |
C(OC(C=1C=CC(=CC1)CC)=O)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.859725 |
