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(R,S)-(3aI,7aI,3'Iu)-1,3-Dibenzyloctahydro-2-(3'isopropyl-2'-oxo-5'-hexen-1-yl)-1,3,2-benzodiazaphosphole 2-Oxide
SpectraBase Compound ID 6gqbLOndTPS
InChI InChI=1S/C29H39N2O2P/c1-4-13-26(23(2)3)29(32)22-34(33)30(20-24-14-7-5-8-15-24)27-18-11-12-19-28(27)31(34)21-25-16-9-6-10-17-25/h4-10,14-17,23,26-28H,1,11-13,18-22H2,2-3H3
InChIKey YONDTNZHLJCHCJ-UHFFFAOYSA-N
Mol Weight 478.6 g/mol
Molecular Formula C29H39N2O2P
Exact Mass 478.274915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CZ87v7skhwk
Name (R,S)-(3aI,7aI,3'Iu)-1,3-Dibenzyloctahydro-2-(3'isopropyl-2'-oxo-5'-hexen-1-yl)-1,3,2-benzodiazaphosphole 2-Oxide
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Formula C29H39N2O2P
InChI InChI=1S/C29H39N2O2P/c1-4-13-26(23(2)3)29(32)22-34(33)30(20-24-14-7-5-8-15-24)27-18-11-12-19-28(27)31(34)21-25-16-9-6-10-17-25/h4-10,14-17,23,26-28H,1,11-13,18-22H2,2-3H3
InChIKey YONDTNZHLJCHCJ-UHFFFAOYSA-N
Molecular Weight 478.617 g/mol
SMILES C12N(P(N(C1CCCC2)Cc1ccccc1)(CC(C(C(C)C)CC=C)=O)=O)Cc1ccccc1
SPLASH splash10-000f-9303000000-780017f073d6c19f6597
Source of Spectrum J-56-5077-18
Synonyms 1-(1,3-dibenzyl-2-oxidooctahydro-1H-1,3,2-benzodiazaphosphol-2-yl)-3-isopropyl-5-hexen-2-one
Wiley ID 1394856