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3-Chloro-o-toluidine, N-pentafluoropropionyl-

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3-Chloro-o-toluidine, N-pentafluoropropionyl-
SpectraBase Compound ID 8GwmPeFYAFV
InChI InChI=1S/C10H7ClF5NO/c1-5-6(11)3-2-4-7(5)17-8(18)9(12,13)10(14,15)16/h2-4H,1H3,(H,17,18)
InChIKey FHBRMCOVTVPQFA-UHFFFAOYSA-N
Mol Weight 287.62 g/mol
Molecular Formula C10H7ClF5NO
Exact Mass 287.013632 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Cegi9rdgYhz
Name 3-Chloro-o-toluidine, N-pentafluoropropionyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 287.013632363 u
Formula C10H7ClF5NO
InChI InChI=1S/C10H7ClF5NO/c1-5-6(11)3-2-4-7(5)17-8(18)9(12,13)10(14,15)16/h2-4H,1H3,(H,17,18)
InChIKey FHBRMCOVTVPQFA-UHFFFAOYSA-N
Molecular Weight 287.617 g/mol
SMILES C1(=C(C)C(=CC=C1)Cl)NC(C(C(F)(F)F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.837074