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1-(4-methylphenyl)sulfonyl-3-(phenylmethyl)-4-prop-2-enyl-2,5-dihydropyrrole
SpectraBase Compound ID 13e9tC4ZjAa
InChI InChI=1S/C21H23NO2S/c1-3-7-19-15-22(16-20(19)14-18-8-5-4-6-9-18)25(23,24)21-12-10-17(2)11-13-21/h3-6,8-13H,1,7,14-16H2,2H3
InChIKey GQZNTOLDZXFLSC-UHFFFAOYSA-N
Mol Weight 353.48 g/mol
Molecular Formula C21H23NO2S
Exact Mass 353.14495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IyExAxKxfc8
Name 1-(4-methylphenyl)sulfonyl-3-(phenylmethyl)-4-prop-2-enyl-2,5-dihydropyrrole
Alternate Name(s) 3-allyl-4-benzyl-1-(p-tolylsulfonyl)-2,5-dihydropyrrole 3-allyl-4-benzyl-1-tosyl-3-pyrroline 3-benzyl-1-(4-methylphenyl)sulfonyl-4-prop-2-enyl-2,5-dihydropyrrole
Comments Less than 3 mono-isotopic peaks
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Formula C21H23NO2S
InChI InChI=1S/C21H23NO2S/c1-3-7-19-15-22(16-20(19)14-18-8-5-4-6-9-18)25(23,24)21-12-10-17(2)11-13-21/h3-6,8-13H,1,7,14-16H2,2H3
InChIKey GQZNTOLDZXFLSC-UHFFFAOYSA-N
Molecular Weight 353.480 g/mol
SMILES C1N(CC(=C1CC=C)Cc1ccccc1)S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-0006-9000000000-bad6116b3e718a4b02c6
Source of Spectrum F-68-5949-7
Wiley ID 1572967