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(R,S)-(2'E,3''E)-(3aI,7aI)-1,3-Dibenzyl-2-[2'-(2''-butenyloxy)-2'-butenyl]octahydro-1H-1,3,2-benzodiazaphosphole 2-Oxide
SpectraBase Compound ID 4Da0MjM3PZM
InChI InChI=1S/C28H37N2O2P/c1-3-5-20-32-26(4-2)23-33(31)29(21-24-14-8-6-9-15-24)27-18-12-13-19-28(27)30(33)22-25-16-10-7-11-17-25/h3-11,14-17,27-28H,12-13,18-23H2,1-2H3/b5-3+,26-4-
InChIKey OZEBULNVIKDCQD-PZZVFTQGSA-N
Mol Weight 464.6 g/mol
Molecular Formula C28H37N2O2P
Exact Mass 464.259265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9KXfjTFCVJg
Name (R,S)-(2'E,3''E)-(3aI,7aI)-1,3-Dibenzyl-2-[2'-(2''-butenyloxy)-2'-butenyl]octahydro-1H-1,3,2-benzodiazaphosphole 2-Oxide
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Formula C28H37N2O2P
InChI InChI=1S/C28H37N2O2P/c1-3-5-20-32-26(4-2)23-33(31)29(21-24-14-8-6-9-15-24)27-18-12-13-19-28(27)30(33)22-25-16-10-7-11-17-25/h3-11,14-17,27-28H,12-13,18-23H2,1-2H3/b5-3+,26-4-
InChIKey OZEBULNVIKDCQD-PZZVFTQGSA-N
Molecular Weight 464.590 g/mol
SMILES C12N(P(N(C1CCCC2)Cc1ccccc1)(C\C(=C\C)OC\C=C\C)=O)Cc1ccccc1
SPLASH splash10-0006-9302000000-89ca1b6c902f728aafd1
Source of Spectrum J-56-5075-12
Synonyms (2E)-2-butenyl (1Z)-1-[(1,3-dibenzyl-2-oxidooctahydro-1H-1,3,2-benzodiazaphosphol-2-yl)methyl]-1-propenyl ether (R,S)-(2'E,3''E)-(3ai,7ai)-1,3-dibenzyl-2-[2'-(2''-butenyloxy)-2'-butenyl]octahydro-1H-1,3,2-benzodiazaphosphole 2-oxide 1,3-Dibenzyl-2-{(2Z)-2-[(2E)-2-butenyloxy]-2-butenyl}octahydro-1H-1,3,2-benzodiazaphosphole 2-oxide
Wiley ID 1391596