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(2,4-dinitrophenyl)-[[(1S,2S)-7-methoxy-2-methyl-1-propyl-3,4,9,10-tetrahydro-1H-phenanthren-2-yl]methyl]amine
SpectraBase Compound ID A85K1B1LjPE
InChI InChI=1S/C26H31N3O5/c1-4-5-23-22-9-6-17-14-19(34-3)8-10-20(17)21(22)12-13-26(23,2)16-27-24-11-7-18(28(30)31)15-25(24)29(32)33/h7-8,10-11,14-15,23,27H,4-6,9,12-13,16H2,1-3H3/t23-,26+/m0/s1
InChIKey CZMHZNRCYVZUCD-JYFHCDHNSA-N
Mol Weight 465.55 g/mol
Molecular Formula C26H31N3O5
Exact Mass 465.226371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 36EDTN5SFRL
Name (2,4-dinitrophenyl)-[[(1S,2S)-7-methoxy-2-methyl-1-propyl-3,4,9,10-tetrahydro-1H-phenanthren-2-yl]methyl]amine
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Formula C26H31N3O5
InChI InChI=1S/C26H31N3O5/c1-4-5-23-22-9-6-17-14-19(34-3)8-10-20(17)21(22)12-13-26(23,2)16-27-24-11-7-18(28(30)31)15-25(24)29(32)33/h7-8,10-11,14-15,23,27H,4-6,9,12-13,16H2,1-3H3/t23-,26+/m0/s1
InChIKey CZMHZNRCYVZUCD-JYFHCDHNSA-N
Molecular Weight 465.550 g/mol
SMILES N(c1c(N(=O)=O)cc(N(=O)=O)cc1)C[C@]1(CCC2=C([C@@]1(CCC)[H])CCc1c2ccc(OC)c1)C
SPLASH splash10-014i-0090100000-ce583372b7f5c607edf4
Source of Spectrum K1-2004-99-73
Synonyms 3-{[(2',4'-Dinitrophenyl)amino]methyl}-3-methyl-4-propyl-10-methoxytricyclo[8.4.0.0]tetradeca-5(14),8,10,12-tetraene N-[[(1S,2S)-7-methoxy-2-methyl-1-propyl-3,4,9,10-tetrahydro-1H-phenanthren-2-yl]methyl]-2,4-dinitroaniline N-[[(1S,2S)-7-methoxy-2-methyl-1-propyl-3,4,9,10-tetrahydro-1H-phenanthren-2-yl]methyl]-2,4-dinitro-aniline
Wiley ID 1559937