| SpectraBase Spectrum ID |
43AkD7WWWqF |
| Name |
Fumaric acid, 2-chlorophenyl 2,4,6-trichlorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
403.917669534 u |
| Formula |
C16H8Cl4O4 |
| InChI |
InChI=1S/C16H8Cl4O4/c17-9-7-11(19)16(12(20)8-9)24-15(22)6-5-14(21)23-13-4-2-1-3-10(13)18/h1-8H/b6-5+ |
| InChIKey |
PSKIHICXNAWKPY-AATRIKPKSA-N |
| Molecular Weight |
406.048 g/mol |
| SMILES |
C(\C=C\C(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)(OC1=C(C=CC=C1)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930027 |
