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2,3,3a,6,7,7a-Hexahydro-4-methyl-2-[(4'-methylbenzene)sulfonamido]-!H-isoindole
SpectraBase Compound ID ROywBfK4Jt
InChI InChI=1S/C16H21NO2S/c1-12-6-8-15(9-7-12)20(18,19)17-10-14-5-3-4-13(2)16(14)11-17/h4,6-9,14,16H,3,5,10-11H2,1-2H3
InChIKey RGQJXZNCSAZDDA-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 GUYtTf7oZF5
Name 2,3,3a,6,7,7a-Hexahydro-4-methyl-2-[(4'-methylbenzene)sulfonamido]-!H-isoindole
Alternate Name(s) 7-methyl-2-[(4-methylphenyl)sulfonyl]-2,3,3a,4,5,7a-hexahydro-1H-isoindole
Comments Less than 3 mono-isotopic peaks
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Formula C16H21NO2S
InChI InChI=1S/C16H21NO2S/c1-12-6-8-15(9-7-12)20(18,19)17-10-14-5-3-4-13(2)16(14)11-17/h4,6-9,14,16H,3,5,10-11H2,1-2H3
InChIKey RGQJXZNCSAZDDA-UHFFFAOYSA-N
Molecular Weight 291.409 g/mol
SMILES C1N(S(c2ccc(cc2)C)(=O)=O)CC2CCC=C(C12)C
SPLASH splash10-0006-9030000000-abb8d5bf7c1f8ae2df6f
Source of Spectrum D1-1998-445-5
Wiley ID 835113