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Z-5-Diphenylphosphinoyl-3,6-dimethyl-7-triphenylmethoxyhept-2-en-4-one diasterisomer
SpectraBase Compound ID J0ws1Fmw1qm
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+/m1/s1
InChIKey LKYNTCWAFMXMRA-KCGHONSWSA-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 Kpt6Rbevu6u
Name Z-5-Diphenylphosphinoyl-3,6-dimethyl-7-triphenylmethoxyhept-2-en-4-one diasterisomer
Alternate Name(s) (2Z)-5-(diphenylphosphoryl)-3,6-dimethyl-7-(trityloxy)-2-hepten-4-one
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+/m1/s1
InChIKey LKYNTCWAFMXMRA-KCGHONSWSA-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 splash10-0pb9-0069020000-1234a2c8c8361f53c209
Source of Spectrum KC-1993-522-5
Wiley ID 779105