| SpectraBase Spectrum ID |
EOjonBCZBJy |
| Name |
Succinic acid, dodec-9-yn-1-yl heptyl 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/c1-3-5-7-9-10-11-12-13-15-17-21-27-23(25)19-18-22(24)26-20-16-14-8-6-4-2/h3-4,6,8-21H2,1-2H3 |
| InChIKey |
UUSYJZQBIMERTD-UHFFFAOYSA-N |
| Molecular Weight |
380.569 g/mol |
| SMILES |
C(C(OCCCCCCCCC#CCC)=O)CC(OCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.856969 |
