| SpectraBase Spectrum ID |
3oMHa4THhso |
| Name |
2-Ethylbutyric acid, 3-methylbenzyl 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/c1-4-13(5-2)14(15)16-10-12-8-6-7-11(3)9-12/h6-9,13H,4-5,10H2,1-3H3 |
| InChIKey |
NEYAYNQLBYCIBF-UHFFFAOYSA-N |
| Molecular Weight |
220.312 g/mol |
| SMILES |
C(=O)(OCC1=CC(C)=CC=C1)C(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903527 |
