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(3R,6R)-2,7-Dimethyl-3,6-bis-(diphenylphosphino)-octane

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(3R,6R)-2,7-Dimethyl-3,6-bis-(diphenylphosphino)-octane
SpectraBase Compound ID 1Moat5EOHrn
InChI InChI=1S/C34H40P2/c1-27(2)33(35(29-17-9-5-10-18-29)30-19-11-6-12-20-30)25-26-34(28(3)4)36(31-21-13-7-14-22-31)32-23-15-8-16-24-32/h5-24,27-28,33-34H,25-26H2,1-4H3/t33-,34-/m1/s1
InChIKey NHIOMXRJDXNMEL-KKLWWLSJSA-N
Mol Weight 510.6 g/mol
Molecular Formula C34H40P2
Exact Mass 510.260525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cil3sZwNOsu
Name (3R,6R)-2,7-Dimethyl-3,6-bis-(diphenylphosphino)-octane
Comments Computed using HOSE algorithm
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Exact Mass 510.260525284 u
Formula C34H40P2
InChI InChI=1S/C34H40P2/c1-27(2)33(35(29-17-9-5-10-18-29)30-19-11-6-12-20-30)25-26-34(28(3)4)36(31-21-13-7-14-22-31)32-23-15-8-16-24-32/h5-24,27-28,33-34H,25-26H2,1-4H3/t33-,34-/m1/s1
InChIKey NHIOMXRJDXNMEL-KKLWWLSJSA-N
Molecular Weight 510.642 g/mol
SMILES [C@](P(C1=CC=CC=C1)C1=CC=CC=C1)(CC[C@](C(C)C)(P(C1=CC=CC=C1)C1=CC=CC=C1)[H])(C(C)C)[H]