| SpectraBase Spectrum ID |
F4NbpQOjpyu |
| Name |
3-Phenylpropanoic acid (2-tert-butylphenyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.161979946 u |
| Formula |
C19H22O2 |
| InChI |
InChI=1S/C19H22O2/c1-19(2,3)16-11-7-8-12-17(16)21-18(20)14-13-15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3 |
| InChIKey |
HUKUDWZBYBYVBR-UHFFFAOYSA-N |
| SMILES |
C=1(C(C(C)(C)C)=CC=CC1)OC(=O)CCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91041 |
