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N-[4-(trifluoromethyl)phenyl]adamantane-1-carboxamide
SpectraBase Compound ID 4WUsmGJCh23
InChI InChI=1S/C18H20F3NO/c19-18(20,21)14-1-3-15(4-2-14)22-16(23)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,22,23)/t11-,12+,13-,17-
InChIKey OITWBSCFTCFHTG-FBBPANFNSA-N
Mol Weight 323.36 g/mol
Molecular Formula C18H20F3NO
Exact Mass 323.149699 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HqKX4nQDStt
Name N-[4-(trifluoromethyl)phenyl]adamantane-1-carboxamide
Appearance White solid
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Formula C18H20F3NO
InChI InChI=1S/C18H20F3NO/c19-18(20,21)14-1-3-15(4-2-14)22-16(23)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,22,23)/t11-,12+,13-,17-
InChIKey OITWBSCFTCFHTG-FBBPANFNSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1021/acs.jmedchem.7b00908
Molecular Weight 323.359 g/mol
Reported Formula C18H20F3NO
SMILES N(c1ccc(cc1)C(F)(F)F)C(=O)C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H]
SPLASH splash10-000i-2900000000-5e193939db42a1f1815b
Source of Spectrum AF-61-SM9-18k
Wiley ID 1879440