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(1R,3R,5S)-6,6-Dichloro-1-methyl-3-(2,4,6-tri-tert-butyl-phenyl)-3-phospha-bicyclo[3.1.0]hexane

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(1R,3R,5S)-6,6-Dichloro-1-methyl-3-(2,4,6-tri-tert-butyl-phenyl)-3-phospha-bicyclo[3.1.0]hexane
SpectraBase Compound ID 9E4PigTj6Rv
InChI InChI=1S/C24H37Cl2OP/c1-20(2,3)15-11-16(21(4,5)6)19(17(12-15)22(7,8)9)28(27)13-18-23(10,14-28)24(18,25)26/h11-12,18H,13-14H2,1-10H3/t18-,23+,28-/m1/s1
InChIKey FUHWXJSJJIOBIS-WNARCLILSA-N
Mol Weight 443.4 g/mol
Molecular Formula C24H37Cl2OP
Exact Mass 442.195908 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6F3OrW03fZT
Name (1R,3R,5S)-6,6-Dichloro-1-methyl-3-(2,4,6-tri-tert-butyl-phenyl)-3-phospha-bicyclo[3.1.0]hexane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 442.195908208 u
Formula C24H37Cl2OP
InChI InChI=1S/C24H37Cl2OP/c1-20(2,3)15-11-16(21(4,5)6)19(17(12-15)22(7,8)9)28(27)13-18-23(10,14-28)24(18,25)26/h11-12,18H,13-14H2,1-10H3/t18-,23+,28-/m1/s1
InChIKey FUHWXJSJJIOBIS-WNARCLILSA-N
Molecular Weight 443.439 g/mol
SMILES [C@]12(C[P@](=O)(C3=C(C=C(C(C)(C)C)C=C3C(C)(C)C)C(C)(C)C)C[C@]1(C)C2(Cl)Cl)[H]