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1-(1,5-Dimethylhexyl)-8,11a,13a-trimethyl-2,3,3a,3b,4,5,5a,6,11,11a,11b,12,13,13a-tetradecahydro-1H-cyclopenta[5,6]naphtho[2,1-g]isoquinoline
SpectraBase Compound ID 28Z0AAKj1ua
InChI InChI=1S/C31H49N/c1-20(2)8-7-9-21(3)27-12-13-28-26-11-10-25-17-23-16-22(4)32-19-24(23)18-31(25,6)29(26)14-15-30(27,28)5/h16,19-21,25-29H,7-15,17-18H2,1-6H3
InChIKey ZFPHXHLVYYRKDF-UHFFFAOYSA-N
Mol Weight 435.7 g/mol
Molecular Formula C31H49N
Exact Mass 435.386501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EJpkexLsnCH
Name 1-(1,5-DIMETHYLHEXYL)-8,11A,13A-TRIMETHYL-2,3,3A,3B,4,5,5A,6,11,11A,11B,12,13,13A-TETRADECAHYDRO-1H-CYCLOPENTA[5,6]NAPHTHO[2,1-G]ISOQUINOLINE
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Exact Mass 435.386500582 u
Formula C31H49N
InChI InChI=1S/C31H49N/c1-20(2)8-7-9-21(3)27-12-13-28-26-11-10-25-17-23-16-22(4)32-19-24(23)18-31(25,6)29(26)14-15-30(27,28)5/h16,19-21,25-29H,7-15,17-18H2,1-6H3
InChIKey ZFPHXHLVYYRKDF-UHFFFAOYSA-N
Molecular Weight 435.740 g/mol
Nominal Mass 435 u
Number of Peaks 270
SMILES c1nc(cc2CC3C(Cc12)(C1CCC2(C(C1CC3)CCC2C(CCCC(C)C)C)C)C)C
SPLASH splash10-05au-6950200000-009cb7169bc1e65b5255
Source File Reference LMCM-97070-079V
Synonyms 1,5,17-trimethyl-6-(6-methylheptan-2-yl)-18-azapentacyclo[11.8.0.0(2,10).0(5,9).0(15,20)]henicosa-15(20),16,18-triene
Wiley ID 8_8195