| SpectraBase Spectrum ID |
FkCZF5Oy6r7 |
| Name |
Sebacic acid, isobutyl non-5-yn-3-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.292659764 u |
| Formula |
C23H40O4 |
| InChI |
InChI=1S/C23H40O4/c1-5-7-8-13-16-21(6-2)27-23(25)18-15-12-10-9-11-14-17-22(24)26-19-20(3)4/h20-21H,5-7,9-12,14-19H2,1-4H3 |
| InChIKey |
GGWCENHABBSKGB-UHFFFAOYSA-N |
| Molecular Weight |
380.569 g/mol |
| SMILES |
C(CC(OC(CCCCCCCCC(OCC(C)C)=O)=O)CC)#CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.893488 |
