| SpectraBase Spectrum ID |
AGfGrc5d5u5 |
| Name |
Succinic acid, propyl 2-tert-butylphenyl 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/c1-5-12-20-15(18)10-11-16(19)21-14-9-7-6-8-13(14)17(2,3)4/h6-9H,5,10-12H2,1-4H3 |
| InChIKey |
SOUMOCJALDGULV-UHFFFAOYSA-N |
| SMILES |
CCCOC(CCC(OC=1C(C(C)(C)C)=CC=CC1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.824482 |
