| SpectraBase Spectrum ID |
K6m8DnbWqds |
| Name |
Fumaric acid, dodecyl 3-heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.308309828 u |
| Formula |
C23H42O4 |
| InChI |
InChI=1S/C23H42O4/c1-4-7-9-10-11-12-13-14-15-16-20-26-22(24)18-19-23(25)27-21(6-3)17-8-5-2/h18-19,21H,4-17,20H2,1-3H3/b19-18+ |
| InChIKey |
DDWPSXHFFOOIBM-VHEBQXMUSA-N |
| Molecular Weight |
382.585 g/mol |
| SMILES |
C(OC(CC)CCCC)(\C=C\C(OCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980679 |
