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(2S)-1-(4-methylphenyl)sulfonyl-5-[(1S)-1-(phenylsulfonyl)oct-7-enyl]-2-prop-2-enyl-2,3-dihydropyrrole
SpectraBase Compound ID 28oJjAAgzq4
InChI InChI=1S/C28H35NO4S2/c1-4-6-7-8-12-16-28(34(30,31)25-14-10-9-11-15-25)27-22-19-24(13-5-2)29(27)35(32,33)26-20-17-23(3)18-21-26/h4-5,9-11,14-15,17-18,20-22,24,28H,1-2,6-8,12-13,16,19H2,3H3/t24-,28-/m0/s1
InChIKey GVBRCKYCLFICKC-CUBQBAPOSA-N
Mol Weight 513.7 g/mol
Molecular Formula C28H35NO4S2
Exact Mass 513.200751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fgpcw8IrMQH
Name (2S)-1-(4-methylphenyl)sulfonyl-5-[(1S)-1-(phenylsulfonyl)oct-7-enyl]-2-prop-2-enyl-2,3-dihydropyrrole
Alternate Name(s) (2S)-2-allyl-5-[(1S)-1-(benzenesulfonyl)oct-7-enyl]-1-(p-tolylsulfonyl)-2,3-dihydropyrrole (2S)-2-allyl-5-[(1S)-1-besyloct-7-enyl]-1-tosyl-2-pyrroline (2S)-5-[(1S)-1-(benzenesulfonyl)oct-7-enyl]-1-(4-methylphenyl)sulfonyl-2-prop-2-enyl-2,3-dihydropyrrole
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Formula C28H35NO4S2
InChI InChI=1S/C28H35NO4S2/c1-4-6-7-8-12-16-28(34(30,31)25-14-10-9-11-15-25)27-22-19-24(13-5-2)29(27)35(32,33)26-20-17-23(3)18-21-26/h4-5,9-11,14-15,17-18,20-22,24,28H,1-2,6-8,12-13,16,19H2,3H3/t24-,28-/m0/s1
InChIKey GVBRCKYCLFICKC-CUBQBAPOSA-N
Molecular Weight 513.711 g/mol
SMILES C=1(N(S(c2ccc(cc2)C)(=O)=O)[C@](CC1)(CC=C)[H])[C@@](S(=O)(=O)c1ccccc1)(CCCCCC=C)[H]
SPLASH splash10-01ox-9530210000-f5b3ca8872179f304271
Source of Spectrum KC-0-348-11
Wiley ID 829930