| SpectraBase Spectrum ID |
GBY2waOQYpt |
| Name |
Sebacic acid, di(4-octyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
440.386560150 u |
| Formula |
C27H52O4 |
| InChI |
InChI=1S/C27H52O4/c1-5-9-19-24(18-8-4)30-26(28)22-16-14-12-13-15-17-23-27(29)31-25(20-10-6-2)21-11-7-3/h24-25H,5-23H2,1-4H3 |
| InChIKey |
YEADKEWZYJZJBH-UHFFFAOYSA-N |
| Molecular Weight |
440.709 g/mol |
| SMILES |
C(CCCCCCC(OC(CCCC)CCC)=O)CC(OC(CCCC)CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970017 |
