| SpectraBase Spectrum ID |
GIhgOJVAfdo |
| Name |
Sebacic acid, 2-methyloct-5-yn-4-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/c1-5-7-15-19-27-23(25)17-13-11-9-10-12-14-18-24(26)28-22(16-8-6-2)20-21(3)4/h21-22H,5-7,9-15,17-20H2,1-4H3 |
| InChIKey |
MVZSWVXKWIIMOW-UHFFFAOYSA-N |
| Molecular Weight |
394.596 g/mol |
| SMILES |
C(CCC(OC(C#CCC)CC(C)C)=O)CCCCCC(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852436 |
