| SpectraBase Spectrum ID |
A0Q5ri6KE4K |
| Name |
Glutaric acid, di(dodec-9-ynyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
460.355260022 u |
| Formula |
C29H48O4 |
| InChI |
InChI=1S/C29H48O4/c1-3-5-7-9-11-13-15-17-19-21-26-32-28(30)24-23-25-29(31)33-27-22-20-18-16-14-12-10-8-6-4-2/h3-4,9-27H2,1-2H3 |
| InChIKey |
CUEYBQBFZWMGDC-UHFFFAOYSA-N |
| Molecular Weight |
460.699 g/mol |
| SMILES |
C(C#CCCCCCCCCOC(CCCC(OCCCCCCCCC#CCC)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918772 |
