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3-{[(2'-Nitrophenyl)amino]methyl}-3-methyl-4-propyl-10-methoxytricyclo[8.4.0.0]tetradeca-5(14),8,10,12-tetraene
SpectraBase Compound ID 2DoJnLOlxGP
InChI InChI=1S/C26H32N2O3/c1-4-7-23-22-12-10-18-16-19(31-3)11-13-20(18)21(22)14-15-26(23,2)17-27-24-8-5-6-9-25(24)28(29)30/h5-6,8-9,11,13,16,23,27H,4,7,10,12,14-15,17H2,1-3H3/t23-,26+/m0/s1
InChIKey MBQRIVYLCDUCRS-JYFHCDHNSA-N
Mol Weight 420.6 g/mol
Molecular Formula C26H32N2O3
Exact Mass 420.241293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HMr7TFLpE7J
Name 3-{[(2'-Nitrophenyl)amino]methyl}-3-methyl-4-propyl-10-methoxytricyclo[8.4.0.0]tetradeca-5(14),8,10,12-tetraene
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Formula C26H32N2O3
InChI InChI=1S/C26H32N2O3/c1-4-7-23-22-12-10-18-16-19(31-3)11-13-20(18)21(22)14-15-26(23,2)17-27-24-8-5-6-9-25(24)28(29)30/h5-6,8-9,11,13,16,23,27H,4,7,10,12,14-15,17H2,1-3H3/t23-,26+/m0/s1
InChIKey MBQRIVYLCDUCRS-JYFHCDHNSA-N
Molecular Weight 420.553 g/mol
SMILES N(C[C@]1(CCC2=C([C@@]1(CCC)[H])CCc1c2ccc(OC)c1)C)c1c(N(=O)=O)cccc1
SPLASH splash10-014i-0090000000-ccdeac41e0340bea6cbd
Source of Spectrum K1-2004-97-71
Synonyms 2-Methoxy-7-methyl-8-propyl-7-(2-nitroanilinomethyl)hexahydrophenanthrene N-[[(1S,2S)-7-methoxy-2-methyl-1-propyl-3,4,9,10-tetrahydro-1H-phenanthren-2-yl]methyl]-2-nitroaniline N-[[(1S,2S)-7-methoxy-2-methyl-1-propyl-3,4,9,10-tetrahydro-1H-phenanthren-2-yl]methyl]-2-nitro-aniline
Wiley ID 1560093