| SpectraBase Spectrum ID |
6Z0vVTMfPiC |
| Name |
Fumaric acid, 2,6-dichlorophenyl 2-fluorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
353.986192329 u |
| Formula |
C16H9Cl2FO4 |
| InChI |
InChI=1S/C16H9Cl2FO4/c17-10-4-3-5-11(18)16(10)23-15(21)9-8-14(20)22-13-7-2-1-6-12(13)19/h1-9H/b9-8+ |
| InChIKey |
KKYPBSRWJNKHBH-CMDGGOBGSA-N |
| Molecular Weight |
355.148 g/mol |
| SMILES |
C(\C=C\C(OC1=CC=CC=C1F)=O)(OC1=C(C=CC=C1Cl)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950102 |
