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N-[4-chloro-3-(trifluoromethyl)phenyl]adamantane-1-carboxamide
SpectraBase Compound ID FmxtrLbLgJw
InChI InChI=1S/C18H19ClF3NO/c19-15-2-1-13(6-14(15)18(20,21)22)23-16(24)17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12H,3-5,7-9H2,(H,23,24)/t10-,11+,12-,17-
InChIKey RNHLEHMBXKICEM-KVMGNAQRSA-N
Mol Weight 357.8 g/mol
Molecular Formula C18H19ClF3NO
Exact Mass 357.110726 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6mqMUK8SF72
Name N-[4-chloro-3-(trifluoromethyl)phenyl]adamantane-1-carboxamide
Appearance White solid
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Formula C18H19ClF3NO
InChI InChI=1S/C18H19ClF3NO/c19-15-2-1-13(6-14(15)18(20,21)22)23-16(24)17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12H,3-5,7-9H2,(H,23,24)/t10-,11+,12-,17-
InChIKey RNHLEHMBXKICEM-KVMGNAQRSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1021/acs.jmedchem.7b00908
Molecular Weight 357.804 g/mol
Reported Formula C18H19ClF3NO
SMILES N(c1cc(c(Cl)cc1)C(F)(F)F)C(=O)C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H]
SPLASH splash10-000i-2900000000-263db93057befad0665c
Source of Spectrum AF-61-SM14-18v
Wiley ID 1879444