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[(1R,3R,4R,5S)-3-diphenylphosphanyl-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]methyl-diphenyl-phosphane
SpectraBase Compound ID 3b6d1PFTYO6
InChI InChI=1S/C34H36P2/c1-34(2)26-23-32(34)31(25-35(27-15-7-3-8-16-27)28-17-9-4-10-18-28)33(24-26)36(29-19-11-5-12-20-29)30-21-13-6-14-22-30/h3-22,26,31-33H,23-25H2,1-2H3/t26-,31+,32+,33-/m1/s1
InChIKey PGECXHNUHRTXMH-RVLOQZQWSA-N
Mol Weight 506.6 g/mol
Molecular Formula C34H36P2
Exact Mass 506.229225 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9jIJZyxKxNx
Name [(1R,3R,4R,5S)-3-Diphenylphosphanyl-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]methyl-diphenyl-phosphane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 506.229225155 u
Formula C34H36P2
InChI InChI=1S/C34H36P2/c1-34(2)26-23-32(34)31(25-35(27-15-7-3-8-16-27)28-17-9-4-10-18-28)33(24-26)36(29-19-11-5-12-20-29)30-21-13-6-14-22-30/h3-22,26,31-33H,23-25H2,1-2H3/t26-,31+,32+,33-/m1/s1
InChIKey PGECXHNUHRTXMH-RVLOQZQWSA-N
Molecular Weight 506.610 g/mol
SMILES [C@]1([C@]2(C(C)(C)[C@](C[C@]1(P(C=1C=CC=CC1)C=1C=CC=CC1)[H])([H])C2)[H])(CP(C=1C=CC=CC1)C=1C=CC=CC1)[H]