| SpectraBase Spectrum ID |
zXBH8u0eF4 |
| Name |
Fumaric acid, 2,2-dichloroethyl dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.152114842 u |
| Formula |
C18H30Cl2O4 |
| InChI |
InChI=1S/C18H30Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-14-23-17(21)12-13-18(22)24-15-16(19)20/h12-13,16H,2-11,14-15H2,1H3/b13-12+ |
| InChIKey |
IDWSWXWSQPMUQF-OUKQBFOZSA-N |
| Molecular Weight |
381.340 g/mol |
| SMILES |
C(OCC(Cl)Cl)(\C=C\C(OCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941392 |
