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E-5-Diphenylphosphinoyl-3,6-dimethyl-7-triphenylmethoxyhept-2-en-4-one diasterisomer
SpectraBase Compound ID 7CxGJtvz63S
InChI InChI=1S/C40H39O3P/c1-4-31(2)38(41)39(44(42,36-26-16-8-17-27-36)37-28-18-9-19-29-37)32(3)30-43-40(33-20-10-5-11-21-33,34-22-12-6-13-23-34)35-24-14-7-15-25-35/h4-29,32,39H,30H2,1-3H3/b31-4+/t32-,39-/m0/s1
InChIKey LKYNTCWAFMXMRA-RGSUSZMPSA-N
Mol Weight 598.7 g/mol
Molecular Formula C40H39O3P
Exact Mass 598.263682 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 17oFeT6nufK
Name E-5-Diphenylphosphinoyl-3,6-dimethyl-7-triphenylmethoxyhept-2-en-4-one diasterisomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H39O3P
InChI InChI=1S/C40H39O3P/c1-4-31(2)38(41)39(44(42,36-26-16-8-17-27-36)37-28-18-9-19-29-37)32(3)30-43-40(33-20-10-5-11-21-33,34-22-12-6-13-23-34)35-24-14-7-15-25-35/h4-29,32,39H,30H2,1-3H3/b31-4+/t32-,39-/m0/s1
InChIKey LKYNTCWAFMXMRA-RGSUSZMPSA-N
Molecular Weight 598.723 g/mol
SMILES [C@](P(=O)(c1ccccc1)c1ccccc1)(C(\C(=C\C)C)=O)([C@](COC(c1ccccc1)(c1ccccc1)c1ccccc1)(C)[H])[H]
SPLASH splash10-0vi0-0090000000-9bb879edc1574cd662e4
Source of Spectrum KC-1993-522-4
Synonyms (2E)-5-(diphenylphosphoryl)-3,6-dimethyl-7-(trityloxy)-2-hepten-4-one (E,5S,6S)-5-diphenylphosphoryl-3,6-dimethyl-7-(triphenylmethyl)oxy-2-hepten-4-one (E,5S,6S)-5-diphenylphosphoryl-3,6-dimethyl-7-trityloxyhept-2-en-4-one (E,5S,6S)-5-diphenylphosphoryl-3,6-dimethyl-7-(triphenylmethyl)oxy-hept-2-en-4-one
Wiley ID 779106