| SpectraBase Spectrum ID |
6arcAAmUdiz |
| Name |
Succinic acid, isohexyl 2-phenylethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.183109313 u |
| Formula |
C18H26O4 |
| InChI |
InChI=1S/C18H26O4/c1-15(2)7-6-13-21-17(19)10-11-18(20)22-14-12-16-8-4-3-5-9-16/h3-5,8-9,15H,6-7,10-14H2,1-2H3 |
| InChIKey |
WSXRORPKZXLGGF-UHFFFAOYSA-N |
| Molecular Weight |
306.402 g/mol |
| SMILES |
C(OCCC1=CC=CC=C1)(=O)CCC(OCCCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.854493 |
