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(3A-R,7A-R,1'-S)-1,3-DIMETHYLOCTAHYDRO-2-(N-METHYL-1'-BENZENETHANAMINO)-2H-1,3,2-BENZODIAZAPHOSPHOLE-2-OXIDE
SpectraBase Compound ID 5dOBKTLcK6i
InChI InChI=1S/C17H28N3OP/c1-14(15-10-6-5-7-11-15)18(2)22(21)19(3)16-12-8-9-13-17(16)20(22)4/h5-7,10-11,14,16-17H,8-9,12-13H2,1-4H3/t14-,16+,17+/m0/s1
InChIKey XDTZJFNNURQQCQ-USXIJHARSA-N
Mol Weight 321.4 g/mol
Molecular Formula C17H28N3OP
Exact Mass 321.197 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C8Bt8oghVtm
Name (3A-R,7A-R,1'-S)-1,3-DIMETHYLOCTAHYDRO-2-(N-METHYL-1'-BENZENETHANAMINO)-2H-1,3,2-BENZODIAZAPHOSPHOLE-2-OXIDE
Compound Number 9H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H28N3OP
InChI InChI=1S/C17H28N3OP/c1-14(15-10-6-5-7-11-15)18(2)22(21)19(3)16-12-8-9-13-17(16)20(22)4/h5-7,10-11,14,16-17H,8-9,12-13H2,1-4H3/t14-,16+,17+/m0/s1
InChIKey XDTZJFNNURQQCQ-USXIJHARSA-N
Literature Reference Author S.E.DENMARK,X.SU,Y.NISHIGAICHI,D.M.COE,K.T.WONG,S.B.D.WINTER ,J.Y.CHOI
Literature Reference Citation J.ORG.CHEM.,64,1958(1999)
Literature Reference DOI 10.1021/jo9820723
Molecular Weight 321.403 g/mol
Sample ID 39727
Solvent CDCl3