SpectraBase Spectrum ID |
86n8GdXywKV |
Name |
Sebacic acid, 2-hexyl propyl 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/c1-4-6-13-17(3)23-19(21)15-12-10-8-7-9-11-14-18(20)22-16-5-2/h17H,4-16H2,1-3H3 |
InChIKey |
HDGXTQXBWMZYRS-UHFFFAOYSA-N |
Molecular Weight |
328.493 g/mol |
SMILES |
C(CCCCCC(=O)OC(C)CCCC)CCC(OCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979558 |