| SpectraBase Spectrum ID |
2dFYmkTfMQC |
| Name |
Sebacic acid, 2-octyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
384.323959893 u |
| Formula |
C23H44O4 |
| InChI |
InChI=1S/C23H44O4/c1-4-6-8-13-17-21(3)27-23(25)19-15-12-10-9-11-14-18-22(24)26-20-16-7-5-2/h21H,4-20H2,1-3H3 |
| InChIKey |
COFBGZGEGBFGPZ-UHFFFAOYSA-N |
| Molecular Weight |
384.601 g/mol |
| SMILES |
C(CCCCCCC(OC(C)CCCCCC)=O)CC(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957592 |
