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2,3,6,7,8,9-Hexahydro-3-methyl-5-methylthio-2-phenyl-1H-benz[e]indazol-1-one
SpectraBase Compound ID Cv9bN7nhGqg
InChI InChI=1S/C19H20N2OS/c1-20-16-12-17(23-2)14-10-6-7-11-15(14)18(16)19(22)21(20)13-8-4-3-5-9-13/h3-5,8-9,12H,6-7,10-11H2,1-2H3
InChIKey HIXHLORPBWBKPV-UHFFFAOYSA-N
Mol Weight 324.44 g/mol
Molecular Formula C19H20N2OS
Exact Mass 324.129634 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KhKA0EHwEd8
Name 2,3,6,7,8,9-Hexahydro-3-methyl-5-methylthio-2-phenyl-1H-benz[e]indazol-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C19H20N2OS
InChI InChI=1S/C19H20N2OS/c1-20-16-12-17(23-2)14-10-6-7-11-15(14)18(16)19(22)21(20)13-8-4-3-5-9-13/h3-5,8-9,12H,6-7,10-11H2,1-2H3
InChIKey HIXHLORPBWBKPV-UHFFFAOYSA-N
Molecular Weight 324.442 g/mol
SMILES c12C(N(c3ccccc3)N(c1cc(c1c2CCCC1)SC)C)=O
SPLASH splash10-00di-0009000000-d65b90d0e4369e255521
Source of Spectrum F-51-10949-14
Synonyms 3-methyl-5-(methylsulfanyl)-2-phenyl-2,3,6,7,8,9-hexahydro-1H-benzo[e]indazol-1-one
Wiley ID 793622