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N-[(Pentafluorophenyl)methyl]-3,5-bis(trifluoromethyl)benzamide
SpectraBase Compound ID ARY2O1KAwtr
InChI InChI=1S/C16H6F11NO/c17-9-8(10(18)12(20)13(21)11(9)19)4-28-14(29)5-1-6(15(22,23)24)3-7(2-5)16(25,26)27/h1-3H,4H2,(H,28,29)
InChIKey NIPKENXYMXIKGJ-UHFFFAOYSA-N
Mol Weight 437.21 g/mol
Molecular Formula C16H6F11NO
Exact Mass 437.027374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2QI8PTOmaQO
Name N-[(Pentafluorophenyl)methyl]-3,5-bis(trifluoromethyl)benzamide
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H6F11NO
InChI InChI=1S/C16H6F11NO/c17-9-8(10(18)12(20)13(21)11(9)19)4-28-14(29)5-1-6(15(22,23)24)3-7(2-5)16(25,26)27/h1-3H,4H2,(H,28,29)
InChIKey NIPKENXYMXIKGJ-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000 and Thermo Deca XP
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202001008
Molecular Weight 437.212 g/mol
Reported Formula C16H6ONF11
SMILES N(C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)=O)Cc1c(c(c(c(c1F)F)F)F)F
SPLASH splash10-000i-0000900000-1a2184db18436038ed7b
Source of Spectrum U1-2020-SM4-3
Wiley ID 1861007