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3-Chloro-4,5-diaminobenzotrifluoride, ac

View entire compound with spectra: 1 FTIR

3-Chloro-4,5-diaminobenzotrifluoride, ac
SpectraBase Compound ID LmhYwICRoPy
InChI InChI=1S/C9H8ClF3N2O/c1-4(16)15-7-3-5(9(11,12)13)2-6(10)8(7)14/h2-3H,14H2,1H3,(H,15,16)
InChIKey VWDRDYOEHOHXKJ-UHFFFAOYSA-N
Mol Weight 252.62 g/mol
Molecular Formula C9H8ClF3N2O
Exact Mass 252.027725 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5W2WbiuufST
Name 3-Chloro-4,5-diaminobenzotrifluoride, ac
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.027725074 u
Formula C9H8ClF3N2O
InChI InChI=1S/C9H8ClF3N2O/c1-4(16)15-7-3-5(9(11,12)13)2-6(10)8(7)14/h2-3H,14H2,1H3,(H,15,16)
InChIKey VWDRDYOEHOHXKJ-UHFFFAOYSA-N
Molecular Weight 252.624 g/mol
SMILES C(F)(F)(F)C1=CC(=C(C(=C1)NC(C)=O)N)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.870947