| SpectraBase Spectrum ID |
5hG12c99b3L |
| Name |
Sebacic acid, 2-ethylhexyl hexyl 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/c1-4-7-9-16-20-27-23(25)18-14-12-10-11-13-15-19-24(26)28-21-22(6-3)17-8-5-2/h22H,4-21H2,1-3H3 |
| InChIKey |
KKGCSFOFIYONIQ-UHFFFAOYSA-N |
| Molecular Weight |
398.628 g/mol |
| SMILES |
C(CCCCCCC(OCC(CCCC)CC)=O)CC(OCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886332 |
