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7,8-Dimethoxy-3a-methyl-5-(methylthio)-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]isoquinoline
SpectraBase Compound ID DDbQ37DIpmR
InChI InChI=1S/C16H21NO2S/c1-16-7-5-6-12(16)10-8-13(18-2)14(19-3)9-11(10)15(17-16)20-4/h8-9,12H,5-7H2,1-4H3
InChIKey GSRYMJZQCOAJRY-UHFFFAOYSA-N
Mol Weight 291.41 g/mol
Molecular Formula C16H21NO2S
Exact Mass 291.1293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KURKKIukRnP
Name 7,8-Dimethoxy-3a-methyl-5-(methylthio)-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]isoquinoline
Appearance White crystals
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Formula C16H21NO2S
InChI InChI=1S/C16H21NO2S/c1-16-7-5-6-12(16)10-8-13(18-2)14(19-3)9-11(10)15(17-16)20-4/h8-9,12H,5-7H2,1-4H3
InChIKey GSRYMJZQCOAJRY-UHFFFAOYSA-N
Instrument Name Agilent Technology 6890N/5975B
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3551
Molecular Weight 291.409 g/mol
SMILES c1c(c(cc2c1C1C(N=C2SC)(C)CCC1)OC)OC
SPLASH splash10-004i-0090000000-9d3ddc91611f90db27c2
Source of Spectrum Y-56-1643-12b
Wiley ID 1859555