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2-Methoxy-7-methyl-7-(iodoanilinomethyl)hexahydrophenanthrene
SpectraBase Compound ID 4VYTyKwLOjX
InChI InChI=1S/C26H32INO/c1-4-7-23-22-12-10-18-16-19(29-3)11-13-20(18)21(22)14-15-26(23,2)17-28-25-9-6-5-8-24(25)27/h5-6,8-9,11,13,16,23,28H,4,7,10,12,14-15,17H2,1-3H3/t23-,26+/m0/s1
InChIKey KZHADRJEZMPCPT-JYFHCDHNSA-N
Mol Weight 501.5 g/mol
Molecular Formula C26H32INO
Exact Mass 501.15286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EbaKLeIfY99
Name 2-Methoxy-7-methyl-7-(iodoanilinomethyl)hexahydrophenanthrene
Alternate Name(s) 3-{[(2'-Iodophenyl)amino]methyl}-3-methyl-4-propyl-10-methoxytricyclo[8.4.0.0]tetradeca-5(14),8,10,12-tetraene 2-iodo-N-[[(1S,2S)-7-methoxy-2-methyl-1-propyl-3,4,9,10-tetrahydro-1H-phenanthren-2-yl]methyl]aniline 2-iodanyl-N-[[(1S,2S)-7-methoxy-2-methyl-1-propyl-3,4,9,10-tetrahydro-1H-phenanthren-2-yl]methyl]aniline
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Formula C26H32INO
InChI InChI=1S/C26H32INO/c1-4-7-23-22-12-10-18-16-19(29-3)11-13-20(18)21(22)14-15-26(23,2)17-28-25-9-6-5-8-24(25)27/h5-6,8-9,11,13,16,23,28H,4,7,10,12,14-15,17H2,1-3H3/t23-,26+/m0/s1
InChIKey KZHADRJEZMPCPT-JYFHCDHNSA-N
Molecular Weight 501.452 g/mol
SMILES N(C[C@]1(CCC2=C([C@@]1(CCC)[H])CCc1c2ccc(OC)c1)C)c1c(I)cccc1
SPLASH splash10-0udi-0090120000-e7756aa21302485e5b89
Source of Spectrum U1-2004-96-70
Wiley ID 1563285