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N-[3-fluoro-5-(trifluoromethyl)phenyl]adamantane-1-carboxamide
SpectraBase Compound ID 6VtYwksJ7I6
InChI InChI=1S/C18H19F4NO/c19-14-4-13(18(20,21)22)5-15(6-14)23-16(24)17-7-10-1-11(8-17)3-12(2-10)9-17/h4-6,10-12H,1-3,7-9H2,(H,23,24)/t10-,11+,12-,17-
InChIKey USJKJXOJQGJZHY-UHFFFAOYSA-N
Mol Weight 341.35 g/mol
Molecular Formula C18H19F4NO
Exact Mass 341.140277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LvJOr3CAE9E
Name N-[3-fluoro-5-(trifluoromethyl)phenyl]adamantane-1-carboxamide
Appearance White solid
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Formula C18H19F4NO
InChI InChI=1S/C18H19F4NO/c19-14-4-13(18(20,21)22)5-15(6-14)23-16(24)17-7-10-1-11(8-17)3-12(2-10)9-17/h4-6,10-12H,1-3,7-9H2,(H,23,24)/t10-,11+,12-,17-
InChIKey USJKJXOJQGJZHY-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1021/acs.jmedchem.7b00908
Molecular Weight 341.350 g/mol
Reported Formula C18H19F4NO
SMILES N(c1cc(F)cc(c1)C(F)(F)F)C(=O)C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H]
SPLASH splash10-000i-2900000000-a885c93b720e0cd6c36a
Source of Spectrum AF-61-SM13-18t
Wiley ID 1879442