SpectraBase Spectrum ID |
GYgRFkGVuAq |
Name |
Succinic acid, 3-hexyl nonyl 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/c1-4-7-8-9-10-11-12-16-22-18(20)14-15-19(21)23-17(6-3)13-5-2/h17H,4-16H2,1-3H3 |
InChIKey |
BMGSEHHPFFHJES-UHFFFAOYSA-N |
Molecular Weight |
328.493 g/mol |
SMILES |
C(C(OC(CC)CCC)=O)CC(OCCCCCCCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.820177 |