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alpha-Chloro-alpha',alpha',alpha',alpha'',alpha'',alpha''-hexafluoro-m-tolu-3',5'-xylidide

View entire compound with spectra: 2 NMR, 2 FTIR, 1 Raman, and 1 UV-Vis

alpha-Chloro-alpha',alpha',alpha',alpha'',alpha'',alpha''-hexafluoro-m-tolu-3',5'-xylidide
SpectraBase Compound ID FrIfmFBDH3U
InChI InChI=1S/C16H10ClF6NO/c17-8-9-2-1-3-10(4-9)14(25)24-13-6-11(15(18,19)20)5-12(7-13)16(21,22)23/h1-7H,8H2,(H,24,25)
InChIKey YODMXUYBNOKXOR-UHFFFAOYSA-N
Mol Weight 381.71 g/mol
Molecular Formula C16H10ClF6NO
Exact Mass 381.035511 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GcZPtZtvtim
Name alpha-Chloro-alpha',alpha',alpha',alpha'',alpha'',alpha''-hexafluoro-m-tolu-3',5'-xylidide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 381.035510623 u
Formula C16H10ClF6NO
InChI InChI=1S/C16H10ClF6NO/c17-8-9-2-1-3-10(4-9)14(25)24-13-6-11(15(18,19)20)5-12(7-13)16(21,22)23/h1-7H,8H2,(H,24,25)
InChIKey YODMXUYBNOKXOR-UHFFFAOYSA-N
Molecular Weight 381.705 g/mol
SMILES N(C=1C=C(C=C(C1)C(F)(F)F)C(F)(F)F)C(C=1C=C(C=CC1)CCl)=O