SpectraBase Spectrum ID |
HhkP4gmxaVF |
Name |
Fumaric acid, 2-chlorophenyl 2,3-dichlorophenyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
369.956641866 u |
Formula |
C16H9Cl3O4 |
InChI |
InChI=1S/C16H9Cl3O4/c17-10-4-1-2-6-12(10)22-14(20)8-9-15(21)23-13-7-3-5-11(18)16(13)19/h1-9H/b9-8+ |
InChIKey |
YDEGGRUWAGVFPN-CMDGGOBGSA-N |
Molecular Weight |
371.603 g/mol |
SMILES |
C(\C=C\C(OC1=C(C(=CC=C1)Cl)Cl)=O)(OC1=C(C=CC=C1)Cl)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969823 |