| SpectraBase Spectrum ID |
BbMYoL2uerO |
| Name |
Fumaric acid, 2,4-dichlorophenyl 2-chloro-6-fluorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
387.947219997 u |
| Formula |
C16H8Cl3FO4 |
| InChI |
InChI=1S/C16H8Cl3FO4/c17-9-4-5-13(11(19)8-9)23-14(21)6-7-15(22)24-16-10(18)2-1-3-12(16)20/h1-8H/b7-6+ |
| InChIKey |
WXIBSFVSPWHGSG-VOTSOKGWSA-N |
| Molecular Weight |
389.593 g/mol |
| SMILES |
C(\C=C\C(OC1=C(C=CC=C1F)Cl)=O)(OC1=C(C=C(C=C1)Cl)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.853408 |
