| SpectraBase Spectrum ID |
3O3oysez9j4 |
| Name |
Succinic acid, 3-phenylpropyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.151809184 u |
| Formula |
C16H22O4 |
| InChI |
InChI=1S/C16H22O4/c1-2-12-19-15(17)10-11-16(18)20-13-6-9-14-7-4-3-5-8-14/h3-5,7-8H,2,6,9-13H2,1H3 |
| InChIKey |
WHSOLPLDSIYRPT-UHFFFAOYSA-N |
| Molecular Weight |
278.348 g/mol |
| SMILES |
C(CCC(OCCCC1=CC=CC=C1)=O)(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918374 |
