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Dimethyl 2-chloro-5-trifluoromethylanilino maleate

View entire compound with spectra: 1 FTIR

Dimethyl 2-chloro-5-trifluoromethylanilino maleate
SpectraBase Compound ID 7kiaQv4iM3J
InChI InChI=1S/C13H11ClF3NO4/c1-21-11(19)6-10(12(20)22-2)18-9-5-7(13(15,16)17)3-4-8(9)14/h3-6,18H,1-2H3/b10-6+
InChIKey LBRREVBWHCMVRH-UXBLZVDNSA-N
Mol Weight 337.68 g/mol
Molecular Formula C13H11ClF3NO4
Exact Mass 337.03287 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CJn1eM2URWD
Name Dimethyl 2-chloro-5-trifluoromethylanilino maleate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 337.032870023 u
Formula C13H11ClF3NO4
InChI InChI=1S/C13H11ClF3NO4/c1-21-11(19)6-10(12(20)22-2)18-9-5-7(13(15,16)17)3-4-8(9)14/h3-6,18H,1-2H3/b10-6+
InChIKey LBRREVBWHCMVRH-UXBLZVDNSA-N
Molecular Weight 337.682 g/mol
SMILES COC(=O)\C(NC1=C(Cl)C=CC(C(F)(F)F)=C1)=C/C(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931907