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2-[(1S,2R,3S,5R)-3-(Diphenylphosphoryl)-6,6-dimethylbicyclo[3.1.1]hept-2-yl]pyridine
SpectraBase Compound ID 46nlXXD66Gp
InChI InChI=1S/C26H28NOP/c1-26(2)19-17-22(26)25(23-15-9-10-16-27-23)24(18-19)29(28,20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-16,19,22,24-25H,17-18H2,1-2H3/t19-,22+,24+,25-/m1/s1
InChIKey RJWCVTZABTWSGQ-CKZJNZIISA-N
Mol Weight 401.49 g/mol
Molecular Formula C26H28NOP
Exact Mass 401.190852 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GczsOn5ZqKV
Name 2-[(1S,2R,3S,5R)-3-(Diphenylphosphoryl)-6,6-dimethylbicyclo[3.1.1]hept-2-yl]pyridine
Alternate Name(s) (1S,2R,3S,5R)-6,6-dimethyl-2-(2-pyridinyl)bicyclo[3.1.1]hept-3-yl(diphenyl)phosphine oxide 2-[(1R,3S,4R,5S)-3-diphenylphosphoryl-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]pyridine
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Formula C26H28NOP
InChI InChI=1S/C26H28NOP/c1-26(2)19-17-22(26)25(23-15-9-10-16-27-23)24(18-19)29(28,20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-16,19,22,24-25H,17-18H2,1-2H3/t19-,22+,24+,25-/m1/s1
InChIKey RJWCVTZABTWSGQ-CKZJNZIISA-N
Molecular Weight 401.490 g/mol
SMILES c1(ccccn1)[C@]1([C@]2(C([C@@](C[C@@]1(P(=O)(c1ccccc1)c1ccccc1)[H])(C2)[H])(C)C)[H])[H]
SPLASH splash10-0udi-0090100000-e588137f19cbc18ee973
Source of Spectrum F-69-4599-17
Wiley ID 1595272