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Adamantane-1-carboxamide, N-(4-thiocyanatophenyl)-
SpectraBase Compound ID FHx0ULVSO1d
InChI InChI=1S/C18H20N2OS/c19-11-22-16-3-1-15(2-4-16)20-17(21)18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-10H2,(H,20,21)/t12-,13+,14-,18-
InChIKey PMIGZBRINYQXHP-WXZYKRPKSA-N
Mol Weight 312.43 g/mol
Molecular Formula C18H20N2OS
Exact Mass 312.129634 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CW3F58P4ual
Name Adamantane-1-carboxamide, N-(4-thiocyanatophenyl)-
Alternate Name(s) thiocyanic acid [4-[[1-adamantyl(oxo)methyl]amino]phenyl] ester [4-(adamantane-1-carbonylamino)phenyl] thiocyanate [4-(1-adamantylcarbonylamino)phenyl] thiocyanate
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Formula C18H20N2OS
InChI InChI=1S/C18H20N2OS/c19-11-22-16-3-1-15(2-4-16)20-17(21)18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-10H2,(H,20,21)/t12-,13+,14-,18-
InChIKey PMIGZBRINYQXHP-WXZYKRPKSA-N
Molecular Weight 312.431 g/mol
SMILES N(C(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=O)c1ccc(SC#N)cc1
SPLASH splash10-000i-4903000000-fd504aa5abb3ed597682
Source of Spectrum AD-0-2532-0
Wiley ID 1419640