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Fumaric acid, 2-chlorophenyl 2,3-dichlorophenyl ester
SpectraBase Compound ID E46dOApE1HW
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
Mol Weight 371.6 g/mol
Molecular Formula C16H9Cl3O4
Exact Mass 369.956642 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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