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3-Tert-butyl-5-(1-adamantyl)-1,2,4-diazaphosphole

View entire compound with spectra: 2 NMR

3-Tert-butyl-5-(1-adamantyl)-1,2,4-diazaphosphole
SpectraBase Compound ID Hq0g3MJgt0T
InChI InChI=1S/C16H25N2P/c1-15(2,3)13-17-18-14(19-13)16-7-10-4-11(8-16)6-12(5-10)9-16/h10-12H,4-9H2,1-3H3,(H,17,18)/t10-,11+,12-,16-
InChIKey AWDZVEMZNQZARJ-BZQOWKENSA-N
Mol Weight 276.36 g/mol
Molecular Formula C16H25N2P
Exact Mass 276.175536 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JtWD3r2S6FO
Name 3-Tert-butyl-5-(1-adamantyl)-1,2,4-diazaphosphole
Comments Computed using HOSE algorithm
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Exact Mass 276.175535811 u
Formula C16H25N2P
InChI InChI=1S/C16H25N2P/c1-15(2,3)13-17-18-14(19-13)16-7-10-4-11(8-16)6-12(5-10)9-16/h10-12H,4-9H2,1-3H3,(H,17,18)/t10-,11+,12-,16-
InChIKey AWDZVEMZNQZARJ-BZQOWKENSA-N
Molecular Weight 276.364 g/mol
SMILES N1C(=PC(=N1)C(C)(C)C)C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]