| SpectraBase Spectrum ID |
JRO5i5MJ9uj |
| Name |
Fumaric acid, 3-methylbutyl 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 |
352.261359635 u |
| Formula |
C21H36O4 |
| InChI |
InChI=1S/C21H36O4/c1-4-5-6-7-8-9-10-11-12-13-17-24-20(22)14-15-21(23)25-18-16-19(2)3/h12-15,19H,4-11,16-18H2,1-3H3/b13-12+,15-14+ |
| InChIKey |
OQPRTFPMPBIRFS-SQIWNDBBSA-N |
| Molecular Weight |
352.515 g/mol |
| SMILES |
C(\C=C\C(OC\C=C\CCCCCCCCC)=O)(OCCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.864322 |
