| SpectraBase Spectrum ID |
GKi9lLMPPmZ |
| Name |
Fumaric acid, 2-octyl 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 |
394.308309828 u |
| Formula |
C24H42O4 |
| InChI |
InChI=1S/C24H42O4/c1-4-6-8-10-11-12-13-14-15-17-21-27-23(25)19-20-24(26)28-22(3)18-16-9-7-5-2/h15,17,19-20,22H,4-14,16,18,21H2,1-3H3/b17-15+,20-19+ |
| InChIKey |
QWXTZTGALMGXHB-DLTVEUPUSA-N |
| Molecular Weight |
394.596 g/mol |
| SMILES |
C(\C=C\C(OC\C=C\CCCCCCCCC)=O)(OC(CCCCCC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980669 |
