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

View entire compound with spectra: 1 MS (GC)

(R,S)-(3aI,7aI,4'Iu)-1,3-Dibenzyl-octahydro-2-(3',3',4'-trimethyl-2'-oxo-5'-hexen-1-yl)-1,3,2-benzodiazaphosphole 2-Oxide
SpectraBase Compound ID Ijsi5ZTgafT
InChI InChI=1S/C29H39N2O2P/c1-5-23(2)29(3,4)28(32)22-34(33)30(20-24-14-8-6-9-15-24)26-18-12-13-19-27(26)31(34)21-25-16-10-7-11-17-25/h5-11,14-17,23,26-27H,1,12-13,18-22H2,2-4H3
InChIKey KPOYWULZVYPQNP-UHFFFAOYSA-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 EbbSdGZ6KQ9
Name (R,S)-(3aI,7aI,4'Iu)-1,3-Dibenzyl-octahydro-2-(3',3',4'-trimethyl-2'-oxo-5'-hexen-1-yl)-1,3,2-benzodiazaphosphole 2-Oxide
Alternate Name(s) 1-(1,3-dibenzyl-2-oxidooctahydro-1H-1,3,2-benzodiazaphosphol-2-yl)-3,3,4-trimethyl-5-hexen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H39N2O2P
InChI InChI=1S/C29H39N2O2P/c1-5-23(2)29(3,4)28(32)22-34(33)30(20-24-14-8-6-9-15-24)26-18-12-13-19-27(26)31(34)21-25-16-10-7-11-17-25/h5-11,14-17,23,26-27H,1,12-13,18-22H2,2-4H3
InChIKey KPOYWULZVYPQNP-UHFFFAOYSA-N
Molecular Weight 478.617 g/mol
SMILES C12N(P(N(C1CCCC2)Cc1ccccc1)(CC(C(C(C=C)C)(C)C)=O)=O)Cc1ccccc1
SPLASH splash10-0006-9102000000-55cee16f9a5a6f0da3fe
Source of Spectrum J-56-5078-18
Wiley ID 1394857