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Di(1-adamantyl)benzylphosphonium Bromide
SpectraBase Compound ID KBW4IZxRAiK
InChI InChI=1S/C27H38BrP/c28-29(18-19-4-2-1-3-5-19,26-12-20-6-21(13-26)8-22(7-20)14-26)27-15-23-9-24(16-27)11-25(10-23)17-27/h1-5,20-25,29H,6-18H2/t20-,21+,22-,23-,24+,25-,26-,27-
InChIKey QSBFZNXAYJIILW-ANIFQACUSA-N
Mol Weight 473.5 g/mol
Molecular Formula C27H38BrP
Exact Mass 472.189451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9NPBHpfzxLR
Name Di(1-adamantyl)benzylphosphonium Bromide
Alternate Name(s) di(1-adamantyl)(benzyl)bromophosphorane
Comments Less than 3 mono-isotopic peaks
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Formula C27H38BrP
InChI InChI=1S/C27H38BrP/c28-29(18-19-4-2-1-3-5-19,26-12-20-6-21(13-26)8-22(7-20)14-26)27-15-23-9-24(16-27)11-25(10-23)17-27/h1-5,20-25,29H,6-18H2/t20-,21+,22-,23-,24+,25-,26-,27-
InChIKey QSBFZNXAYJIILW-ANIFQACUSA-N
Molecular Weight 473.479 g/mol
SMILES P(Cc1ccccc1)(C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H])(C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H])Br
SPLASH splash10-000i-0902000000-626756443e3f869ca74a
Source of Spectrum CV-2004-939-1
Wiley ID 1611227