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(R,S)-(3aI,7aI,3'Iu)-1,3-Dibenzyloctahydro-2-(3'-methyl-2'-oxo-5'-hexen-1-yl)-1,3,2-benzodiazaphosphole 2-Oxide
SpectraBase Compound ID 7HCI8JB7V75
InChI InChI=1S/C27H35N2O2P/c1-3-12-22(2)27(30)21-32(31)28(19-23-13-6-4-7-14-23)25-17-10-11-18-26(25)29(32)20-24-15-8-5-9-16-24/h3-9,13-16,22,25-26H,1,10-12,17-21H2,2H3/t22-,25+,26+/m0/s1
InChIKey OWZXTDWONIGOIK-HDYLNDSGSA-N
Mol Weight 450.6 g/mol
Molecular Formula C27H35N2O2P
Exact Mass 450.243615 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Jk4iKYqtHb
Name (R,S)-(3aI,7aI,3'Iu)-1,3-Dibenzyloctahydro-2-(3'-methyl-2'-oxo-5'-hexen-1-yl)-1,3,2-benzodiazaphosphole 2-Oxide
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Formula C27H35N2O2P
InChI InChI=1S/C27H35N2O2P/c1-3-12-22(2)27(30)21-32(31)28(19-23-13-6-4-7-14-23)25-17-10-11-18-26(25)29(32)20-24-15-8-5-9-16-24/h3-9,13-16,22,25-26H,1,10-12,17-21H2,2H3/t22-,25+,26+/m0/s1
InChIKey OWZXTDWONIGOIK-HDYLNDSGSA-N
Molecular Weight 450.563 g/mol
SMILES [C@@]12(N(P(N([C@@]1(CCCC2)[H])Cc1ccccc1)(CC(=O)[C@](CC=C)(C)[H])=O)Cc1ccccc1)[H]
SPLASH splash10-0006-9302000000-1821c1720054ca8a799e
Source of Spectrum J-56-5077-18
Synonyms (3S)-1-[(3aR,7aR)-1,3-dibenzyl-2-oxidooctahydro-1H-1,3,2-benzodiazaphosphol-2-yl]-3-methyl-5-hexen-2-one
Wiley ID 1387809