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(R,S)-(2'E)-(3aI,7aI)-1,3-Dibenzyloctahydro-2-[2'-(2''-propenyloxy)-2'-butenyl]-1H-1,3,2-benzodiazaphosphole 2-Oxide

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(R,S)-(2'E)-(3aI,7aI)-1,3-Dibenzyloctahydro-2-[2'-(2''-propenyloxy)-2'-butenyl]-1H-1,3,2-benzodiazaphosphole 2-Oxide
SpectraBase Compound ID A5jc8zEks6e
InChI InChI=1S/C27H35N2O2P/c1-3-19-31-25(4-2)22-32(30)28(20-23-13-7-5-8-14-23)26-17-11-12-18-27(26)29(32)21-24-15-9-6-10-16-24/h3-10,13-16,26-27H,1,11-12,17-22H2,2H3/b25-4-/t26-,27-/m1/s1
InChIKey VKCWZFFJGPSAOD-RSAXFAPLSA-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 3dBFezqkUYj
Name (R,S)-(2'E)-(3aI,7aI)-1,3-Dibenzyloctahydro-2-[2'-(2''-propenyloxy)-2'-butenyl]-1H-1,3,2-benzodiazaphosphole 2-Oxide
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Formula C27H35N2O2P
InChI InChI=1S/C27H35N2O2P/c1-3-19-31-25(4-2)22-32(30)28(20-23-13-7-5-8-14-23)26-17-11-12-18-27(26)29(32)21-24-15-9-6-10-16-24/h3-10,13-16,26-27H,1,11-12,17-22H2,2H3/b25-4-/t26-,27-/m1/s1
InChIKey VKCWZFFJGPSAOD-RSAXFAPLSA-N
Molecular Weight 450.563 g/mol
SMILES [C@@]12(N(P(N([C@@]1(CCCC2)[H])Cc1ccccc1)(C\C(=C\C)OCC=C)=O)Cc1ccccc1)[H]
SPLASH splash10-0006-9303100000-7055281c6ccbab3b1838
Source of Spectrum J-56-5075-12
Synonyms (1Z)-1-{[(3aR,7aR)-1,3-dibenzyl-2-oxidooctahydro-1H-1,3,2-benzodiazaphosphol-2-yl]methyl}-1-propenyl allyl ether (3aR,7aR)-2-[(2Z)-2-(allyloxy)-2-butenyl]-1,3-dibenzyloctahydro-1H-1,3,2-benzodiazaphosphole 2-oxide (R,S)-(2'E)-(3ai,7ai)-1,3-dibenzyloctahydro-2-[2'-(2''-propenyloxy)-2'-butenyl]-1H-1,3,2-benzodiazaphosphole 2-oxide
Wiley ID 1387808