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5-Chloro-2-methyl-aniline, N,N-bis(heptafluorobutyryl)-

View entire compound with spectra: 1 FTIR

5-Chloro-2-methyl-aniline, N,N-bis(heptafluorobutyryl)-
SpectraBase Compound ID 9t9DNxfHp5I
InChI InChI=1S/C15H6ClF14NO2/c1-5-2-3-6(16)4-7(5)31(8(32)10(17,18)12(21,22)14(25,26)27)9(33)11(19,20)13(23,24)15(28,29)30/h2-4H,1H3
InChIKey XTWIKYIKGIIDHF-UHFFFAOYSA-N
Mol Weight 533.65 g/mol
Molecular Formula C15H6ClF14NO2
Exact Mass 532.98635 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BvHERKhHlZr
Name 5-Chloro-2-methyl-aniline, N,N-bis(heptafluorobutyryl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 532.986350417 u
Formula C15H6ClF14NO2
InChI InChI=1S/C15H6ClF14NO2/c1-5-2-3-6(16)4-7(5)31(8(32)10(17,18)12(21,22)14(25,26)27)9(33)11(19,20)13(23,24)15(28,29)30/h2-4H,1H3
InChIKey XTWIKYIKGIIDHF-UHFFFAOYSA-N
Molecular Weight 533.649 g/mol
SMILES C1(=C(C=C(C=C1)Cl)N(C(=O)C(F)(C(F)(C(F)(F)F)F)F)C(=O)C(F)(C(F)(C(F)(F)F)F)F)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.889242