| SpectraBase Spectrum ID |
1hh41spU9oa |
| Name |
Sebacic acid, hexyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.292659764 u |
| Formula |
C21H40O4 |
| InChI |
InChI=1S/C21H40O4/c1-3-5-7-15-19-25-21(23)17-13-11-9-8-10-12-16-20(22)24-18-14-6-4-2/h3-19H2,1-2H3 |
| InChIKey |
GOEYFCVGHSYNOY-UHFFFAOYSA-N |
| Molecular Weight |
356.547 g/mol |
| SMILES |
C(CCCCCC(OCCCCCC)=O)CCC(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.826078 |
