| SpectraBase Spectrum ID |
AQ3AmTekGXQ |
| Name |
Fumaric acid, 2-methylpentyl 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 |
366.277009700 u |
| Formula |
C22H38O4 |
| InChI |
InChI=1S/C22H38O4/c1-4-6-7-8-9-10-11-12-13-14-18-25-21(23)16-17-22(24)26-19-20(3)15-5-2/h13-14,16-17,20H,4-12,15,18-19H2,1-3H3/b14-13+,17-16+ |
| InChIKey |
CNZKTZSJMXPTQV-VLDVYECUSA-N |
| Molecular Weight |
366.542 g/mol |
| SMILES |
C(\C=C\C(OC\C=C\CCCCCCCCC)=O)(OCC(C)CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934421 |
