| SpectraBase Spectrum ID |
JYYY4JMUjU9 |
| Name |
Diethylmalonic acid, decyl dodec-9-ynyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
464.386560150 u |
| Formula |
C29H52O4 |
| InChI |
InChI=1S/C29H52O4/c1-5-9-11-13-15-17-18-20-22-24-26-33-28(31)29(7-3,8-4)27(30)32-25-23-21-19-16-14-12-10-6-2/h5-8,10,12-26H2,1-4H3 |
| InChIKey |
RGMMENQQGBWABY-UHFFFAOYSA-N |
| Molecular Weight |
464.731 g/mol |
| SMILES |
C(C(C(OCCCCCCCCCC)=O)(CC)CC)(OCCCCCCCCC#CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.981919 |
