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(R,S)-(2''E)-(3aI,7aI)-1,3-Dibenzyl-2-[2'-(2''-butenyloxy)-3'-methyl-2'-butenyl]octahydro-1H-1,3,2-benzodiazaphosphole 2-Oxide

View entire compound with spectra: 1 MS (GC)

(R,S)-(2''E)-(3aI,7aI)-1,3-Dibenzyl-2-[2'-(2''-butenyloxy)-3'-methyl-2'-butenyl]octahydro-1H-1,3,2-benzodiazaphosphole 2-Oxide
SpectraBase Compound ID GJ53Mwk9w06
InChI InChI=1S/C29H39N2O2P/c1-4-5-20-33-29(24(2)3)23-34(32)30(21-25-14-8-6-9-15-25)27-18-12-13-19-28(27)31(34)22-26-16-10-7-11-17-26/h4-11,14-17,27-28H,12-13,18-23H2,1-3H3/b5-4-
InChIKey VBGTZUKLQRTBHQ-PLNGDYQASA-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 JKgOCDQGSyw
Name (R,S)-(2''E)-(3aI,7aI)-1,3-Dibenzyl-2-[2'-(2''-butenyloxy)-3'-methyl-2'-butenyl]octahydro-1H-1,3,2-benzodiazaphosphole 2-Oxide
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Formula C29H39N2O2P
InChI InChI=1S/C29H39N2O2P/c1-4-5-20-33-29(24(2)3)23-34(32)30(21-25-14-8-6-9-15-25)27-18-12-13-19-28(27)31(34)22-26-16-10-7-11-17-26/h4-11,14-17,27-28H,12-13,18-23H2,1-3H3/b5-4-
InChIKey VBGTZUKLQRTBHQ-PLNGDYQASA-N
Molecular Weight 478.617 g/mol
SMILES C12N(P(N(C1CCCC2)Cc1ccccc1)(CC(=C(C)C)OC\C=C/C)=O)Cc1ccccc1
SPLASH splash10-0006-9304000000-7bd65284e6a7d8bf509e
Source of Spectrum J-56-5074-12
Synonyms (2Z)-2-butenyl 1-[(1,3-dibenzyl-2-oxidooctahydro-1H-1,3,2-benzodiazaphosphol-2-yl)methyl]-2-methyl-1-propenyl ether (R,S)-(2''E)-(3ai,7ai)-1,3-dibenzyl-2-[2'-(2''-butenyloxy)-3'-methyl-2'-butenyl]octahydro-1H-1,3,2-benzodiazaphosphole 2-oxide 1,3-Dibenzyl-2-{2-[(2Z)-2-butenyloxy]-3-methyl-2-butenyl}octahydro-1H-1,3,2-benzodiazaphosphole 2-oxide
Wiley ID 1394854