| SpectraBase Spectrum ID |
4bz0Yn4pPYq |
| Name |
Fumaric acid, 2,2-dichloroethyl undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
366.136464778 u |
| Formula |
C17H28Cl2O4 |
| InChI |
InChI=1S/C17H28Cl2O4/c1-2-3-4-5-6-7-8-9-10-13-22-16(20)11-12-17(21)23-14-15(18)19/h11-12,15H,2-10,13-14H2,1H3/b12-11+ |
| InChIKey |
QRWWZUHTBJNFPP-VAWYXSNFSA-N |
| Molecular Weight |
367.313 g/mol |
| SMILES |
C(OCC(Cl)Cl)(\C=C\C(OCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867796 |
