| SpectraBase Spectrum ID |
I4WcKTgH63C |
| Name |
Succinic acid, heptyl 3-octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.261359635 u |
| Formula |
C19H36O4 |
| InChI |
InChI=1S/C19H36O4/c1-4-7-9-10-12-16-22-18(20)14-15-19(21)23-17(6-3)13-11-8-5-2/h17H,4-16H2,1-3H3 |
| InChIKey |
PCGJYUHQYCYXLI-UHFFFAOYSA-N |
| Molecular Weight |
328.493 g/mol |
| SMILES |
C(CCC(OC(CCCCC)CC)=O)(OCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942604 |
