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(R)-3-Allyl-2-butyl-4-methyl-1-(p-toluenesulfonyl)-2,5-dihydro-1H-pyrrole
SpectraBase Compound ID BJKo9ljsGXj
InChI InChI=1S/C19H27NO2S/c1-5-7-9-19-18(8-6-2)16(4)14-20(19)23(21,22)17-12-10-15(3)11-13-17/h6,10-13,19H,2,5,7-9,14H2,1,3-4H3/t19-/m1/s1
InChIKey LUNUGYDDBZBQFB-LJQANCHMSA-N
Mol Weight 333.49 g/mol
Molecular Formula C19H27NO2S
Exact Mass 333.17625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IP8zbgy10Pr
Name (R)-3-Allyl-2-butyl-4-methyl-1-(p-toluenesulfonyl)-2,5-dihydro-1H-pyrrole
Comments Less than 3 mono-isotopic peaks
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Formula C19H27NO2S
InChI InChI=1S/C19H27NO2S/c1-5-7-9-19-18(8-6-2)16(4)14-20(19)23(21,22)17-12-10-15(3)11-13-17/h6,10-13,19H,2,5,7-9,14H2,1,3-4H3/t19-/m1/s1
InChIKey LUNUGYDDBZBQFB-LJQANCHMSA-N
Molecular Weight 333.490 g/mol
SMILES [C@]1(N(CC(=C1CC=C)C)S(=O)(=O)c1ccc(cc1)C)(CCCC)[H]
SPLASH splash10-004i-0090000000-09dd17f3df2341eaf3c6
Source of Spectrum F-68-5949-7
Synonyms (2R)-3-allyl-2-butyl-4-methyl-1-[(4-methylphenyl)sulfonyl]-2,5-dihydro-1H-pyrrole (2R)-3-allyl-2-butyl-4-methyl-1-(p-tolylsulfonyl)-2,5-dihydropyrrole (2R)-2-butyl-4-methyl-1-(4-methylphenyl)sulfonyl-3-prop-2-enyl-2,5-dihydropyrrole
Wiley ID 1572964