| SpectraBase Spectrum ID |
HZoDVa60DRY |
| Name |
Sebacic acid, hexyl 2-octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.339609957 u |
| Formula |
C24H46O4 |
| InChI |
InChI=1S/C24H46O4/c1-4-6-8-14-18-22(3)28-24(26)20-16-13-11-10-12-15-19-23(25)27-21-17-9-7-5-2/h22H,4-21H2,1-3H3 |
| InChIKey |
VTUIKPMTZLDUDP-UHFFFAOYSA-N |
| Molecular Weight |
398.628 g/mol |
| SMILES |
C(CCCCCCC(OC(C)CCCCCC)=O)CC(OCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905673 |
