| SpectraBase Spectrum ID |
5Z7RRIPtpjB |
| Name |
Glutaric acid, oct-1-en-3-yl dodec-2-en-1-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.323959893 u |
| Formula |
C25H44O4 |
| InChI |
InChI=1S/C25H44O4/c1-4-7-9-10-11-12-13-14-15-17-22-28-24(26)20-18-21-25(27)29-23(6-3)19-16-8-5-2/h6,15,17,23H,3-5,7-14,16,18-22H2,1-2H3/b17-15+ |
| InChIKey |
HPQXRJVNRNVUPY-BMRADRMJSA-N |
| Molecular Weight |
408.623 g/mol |
| SMILES |
C(CCC(OC\C=C\CCCCCCCCC)=O)C(OC(C=C)CCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936313 |
