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2,4-bis(Isobutyryl)-1-(phenylsulfonyl)-1H-pyrrole
SpectraBase Compound ID A3CoDAeCJjM
InChI InChI=1S/C18H21NO4S/c1-12(2)17(20)14-10-16(18(21)13(3)4)19(11-14)24(22,23)15-8-6-5-7-9-15/h5-13H,1-4H3
InChIKey GXFIRQGTPMAUOK-UHFFFAOYSA-N
Mol Weight 347.43 g/mol
Molecular Formula C18H21NO4S
Exact Mass 347.119129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6AC0pFElQNG
Name 2,4-bis(Isobutyryl)-1-(phenylsulfonyl)-1H-pyrrole
Alternate Name(s) 1-[1-(benzenesulfonyl)-4-(2-methyl-1-oxopropyl)-2-pyrrolyl]-2-methyl-1-propanone 1-[1-(benzenesulfonyl)-4-(2-methylpropanoyl)pyrrol-2-yl]-2-methylpropan-1-one 1-[1-(benzenesulfonyl)-4-(2-methylpropanoyl)pyrrol-2-yl]-2-methyl-propan-1-one 2-Methyl-1-[4-(2-methylpropanoyl)-1-(phenylsulfonyl)pyrrol-2-yl]propan-1-one
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Formula C18H21NO4S
InChI InChI=1S/C18H21NO4S/c1-12(2)17(20)14-10-16(18(21)13(3)4)19(11-14)24(22,23)15-8-6-5-7-9-15/h5-13H,1-4H3
InChIKey GXFIRQGTPMAUOK-UHFFFAOYSA-N
Molecular Weight 347.429 g/mol
SMILES c1(S([n]2c(cc(c2)C(=O)C(C)C)C(=O)C(C)C)(=O)=O)ccccc1
SPLASH splash10-0udi-0109000000-1eae8dc2ecea3d4f05bf
Source of Spectrum U1-2009-3565-4
Wiley ID 1696875