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(R,S)-(3aI,7aI,3'Iu,4'Iu)-1,3-Dibenzyl-2-(3',4'-dimethyl-2'-oxo-5'-hexen-1-yl)octahydro-1,3,2-benzodiazaphosphole 2-Oxide

View entire compound with spectra: 1 MS (GC)

(R,S)-(3aI,7aI,3'Iu,4'Iu)-1,3-Dibenzyl-2-(3',4'-dimethyl-2'-oxo-5'-hexen-1-yl)octahydro-1,3,2-benzodiazaphosphole 2-Oxide
SpectraBase Compound ID 1Yx6OoGXZOA
InChI InChI=1S/C28H37N2O2P/c1-4-22(2)23(3)28(31)21-33(32)29(19-24-13-7-5-8-14-24)26-17-11-12-18-27(26)30(33)20-25-15-9-6-10-16-25/h4-10,13-16,22-23,26-27H,1,11-12,17-21H2,2-3H3
InChIKey GLTBFMAXAPKOTP-UHFFFAOYSA-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 MX3kQhYmR6
Name (R,S)-(3aI,7aI,3'Iu,4'Iu)-1,3-Dibenzyl-2-(3',4'-dimethyl-2'-oxo-5'-hexen-1-yl)octahydro-1,3,2-benzodiazaphosphole 2-Oxide
Alternate Name(s) 1-(1,3-dibenzyl-2-oxidooctahydro-1H-1,3,2-benzodiazaphosphol-2-yl)-3,4-dimethyl-5-hexen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H37N2O2P
InChI InChI=1S/C28H37N2O2P/c1-4-22(2)23(3)28(31)21-33(32)29(19-24-13-7-5-8-14-24)26-17-11-12-18-27(26)30(33)20-25-15-9-6-10-16-25/h4-10,13-16,22-23,26-27H,1,11-12,17-21H2,2-3H3
InChIKey GLTBFMAXAPKOTP-UHFFFAOYSA-N
Molecular Weight 464.590 g/mol
SMILES C12N(P(N(C1CCCC2)Cc1ccccc1)(CC(C(C(C=C)C)C)=O)=O)Cc1ccccc1
SPLASH splash10-0006-9302000000-ad1e8940e8ad8dc5d607
Source of Spectrum J-56-5077-18
Wiley ID 1391597