SpectraBase Spectrum ID |
Gbb0wNuhbMP |
Name |
Succinic acid, 2-decyl pentyl 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/c1-4-6-8-9-10-11-13-17(3)23-19(21)15-14-18(20)22-16-12-7-5-2/h17H,4-16H2,1-3H3 |
InChIKey |
KMWZEIAWHYMIKK-UHFFFAOYSA-N |
Molecular Weight |
328.493 g/mol |
SMILES |
C(CC(OC(CCCCCCCC)C)=O)C(OCCCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942766 |