| SpectraBase Spectrum ID |
7q7Lo6ussO |
| Name |
Sebacic acid, 3-heptyl hexyl 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/c1-4-7-9-16-20-26-22(24)18-14-12-10-11-13-15-19-23(25)27-21(6-3)17-8-5-2/h21H,4-20H2,1-3H3 |
| InChIKey |
UUYDWGZBVWRFSY-UHFFFAOYSA-N |
| Molecular Weight |
384.601 g/mol |
| SMILES |
C(CCCCCCCCC(OCCCCCC)=O)(OC(CCCC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.8649 |
