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2-Hexyl-4-methyl-1-(p-toluenesulfonyl)-2,5-dihydro-1H-pyrrole
SpectraBase Compound ID 40U0WhM8qyt
InChI InChI=1S/C18H27NO2S/c1-4-5-6-7-8-17-13-16(3)14-19(17)22(20,21)18-11-9-15(2)10-12-18/h9-13,17H,4-8,14H2,1-3H3
InChIKey VBMQLZKIYJGVBR-UHFFFAOYSA-N
Mol Weight 321.48 g/mol
Molecular Formula C18H27NO2S
Exact Mass 321.17625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 42BEPMShOyb
Name 2-Hexyl-4-methyl-1-(p-toluenesulfonyl)-2,5-dihydro-1H-pyrrole
Comments Less than 3 mono-isotopic peaks
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Formula C18H27NO2S
InChI InChI=1S/C18H27NO2S/c1-4-5-6-7-8-17-13-16(3)14-19(17)22(20,21)18-11-9-15(2)10-12-18/h9-13,17H,4-8,14H2,1-3H3
InChIKey VBMQLZKIYJGVBR-UHFFFAOYSA-N
Molecular Weight 321.479 g/mol
SMILES C1(N(CC(=C1)C)S(=O)(=O)c1ccc(cc1)C)CCCCCC
SPLASH splash10-000i-0091000000-337dea40efeebb6ba8f5
Source of Spectrum F-68-5949-15
Synonyms 2-hexyl-4-methyl-1-[(4-methylphenyl)sulfonyl]-2,5-dihydro-1H-pyrrole
Wiley ID 1572962