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(R,S)-(3aI,7aI)-1,3-Dibenzyloctahydro-2-(3'-methyl-1',2'-butadienyl)-1H-1,3,2-benzodiazaphosphole 2-Oxide
SpectraBase Compound ID 41PH955FRSu
InChI InChI=1S/C25H31N2OP/c1-21(2)17-18-29(28)26(19-22-11-5-3-6-12-22)24-15-9-10-16-25(24)27(29)20-23-13-7-4-8-14-23/h3-8,11-14,18,24-25H,9-10,15-16,19-20H2,1-2H3/t24-,25-/m0/s1
InChIKey ZGHGYYVZXYCSOO-DQEYMECFSA-N
Mol Weight 406.51 g/mol
Molecular Formula C25H31N2OP
Exact Mass 406.217401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cekay29hH3a
Name (R,S)-(3aI,7aI)-1,3-Dibenzyloctahydro-2-(3'-methyl-1',2'-butadienyl)-1H-1,3,2-benzodiazaphosphole 2-Oxide
Alternate Name(s) (3aS,7aS)-1,3-dibenzyl-2-(3-methyl-1,2-butadienyl)octahydro-1H-1,3,2-benzodiazaphosphole 2-oxide
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Formula C25H31N2OP
InChI InChI=1S/C25H31N2OP/c1-21(2)17-18-29(28)26(19-22-11-5-3-6-12-22)24-15-9-10-16-25(24)27(29)20-23-13-7-4-8-14-23/h3-8,11-14,18,24-25H,9-10,15-16,19-20H2,1-2H3/t24-,25-/m0/s1
InChIKey ZGHGYYVZXYCSOO-DQEYMECFSA-N
Molecular Weight 406.510 g/mol
SMILES [C@]12(N(P(N([C@]1(CCCC2)[H])Cc1ccccc1)(C=C=C(C)C)=O)Cc1ccccc1)[H]
SPLASH splash10-0006-9000100000-15a4190382347dfc816a
Source of Spectrum J-56-5071-7
Wiley ID 1372341