| SpectraBase Spectrum ID |
1ZVmccR4HOh |
| Name |
Succinic acid, isobutyl 3-phenylpropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.167459249 u |
| Formula |
C17H24O4 |
| InChI |
InChI=1S/C17H24O4/c1-14(2)13-21-17(19)11-10-16(18)20-12-6-9-15-7-4-3-5-8-15/h3-5,7-8,14H,6,9-13H2,1-2H3 |
| InChIKey |
RODRTZUOALTRJL-UHFFFAOYSA-N |
| SMILES |
C(C(OCCCC1=CC=CC=C1)=O)CC(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892233 |
