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3-Methyl-9-tosyl-9-azabicyclo[4.3.0]non-2-ene
SpectraBase Compound ID Dk2XuDZ2d8c
InChI InChI=1S/C16H21NO2S/c1-12-4-7-15(8-5-12)20(18,19)17-10-9-14-6-3-13(2)11-16(14)17/h4-5,7-8,11,14,16H,3,6,9-10H2,1-2H3
InChIKey XGYRTRQYFODZSG-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 3nEPfwPeXbK
Name 3-Methyl-9-tosyl-9-azabicyclo[4.3.0]non-2-ene
Alternate Name(s) (3aS,7aR)-3a,6,7a-Trimethyl-1-(toluene-4-sulfonyl)-2,3,3a,4,5,7a-hexahydro-1H-benzoimidazole 6-Methyl-1-[(4-methylphenyl)sulfonyl]-2,3,3a,4,5,7a-hexahydro-1H-indole
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Formula C16H21NO2S
InChI InChI=1S/C16H21NO2S/c1-12-4-7-15(8-5-12)20(18,19)17-10-9-14-6-3-13(2)11-16(14)17/h4-5,7-8,11,14,16H,3,6,9-10H2,1-2H3
InChIKey XGYRTRQYFODZSG-UHFFFAOYSA-N
Molecular Weight 291.409 g/mol
SMILES C12N(S(c3ccc(cc3)C)(=O)=O)CCC2CCC(=C1)C
SPLASH splash10-0006-9120000000-e3e3042332f839a70d60
Source of Spectrum J-58-5462-51
Wiley ID 1294538