| SpectraBase Spectrum ID |
OiUPMUe1Qr |
| Name |
Sebacic acid, non-5-yn-3-yl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.308309828 u |
| Formula |
C24H42O4 |
| InChI |
InChI=1S/C24H42O4/c1-4-7-9-14-18-22(6-3)28-24(26)20-16-13-11-10-12-15-19-23(25)27-21-17-8-5-2/h22H,4-8,10-13,15-21H2,1-3H3 |
| InChIKey |
ZWNASDAYGWEYCY-UHFFFAOYSA-N |
| Molecular Weight |
394.596 g/mol |
| SMILES |
C(CC(OC(CCCCCCCCC(OCCCCC)=O)=O)CC)#CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932385 |
