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(E)-3-{5-formyl-[1-(4-methylphenylsulfonyl]-1H-pyrrol-3-yl}-N,N-dimethylprop-2-enamide
SpectraBase Compound ID 3e0cijzRBAm
InChI InChI=1S/C17H18N2O4S/c1-13-4-7-16(8-5-13)24(22,23)19-11-14(10-15(19)12-20)6-9-17(21)18(2)3/h4-12H,1-3H3/b9-6+
InChIKey SAHDJVDLLMJZJH-RMKNXTFCSA-N
Mol Weight 346.4 g/mol
Molecular Formula C17H18N2O4S
Exact Mass 346.098728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8JrMjcEWOJD
Name (E)-3-{5-formyl-[1-(4-methylphenylsulfonyl]-1H-pyrrol-3-yl}-N,N-dimethylprop-2-enamide
Appearance Pale yellow microcrystals
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Formula C17H18N2O4S
InChI InChI=1S/C17H18N2O4S/c1-13-4-7-16(8-5-13)24(22,23)19-11-14(10-15(19)12-20)6-9-17(21)18(2)3/h4-12H,1-3H3/b9-6+
InChIKey SAHDJVDLLMJZJH-RMKNXTFCSA-N
Instrument Name JEOL JMS-AX 505W/Bruker Apex III
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0009.214
Molecular Weight 346.401 g/mol
Reported Formula C17H18N2O4S
SMILES c1[n](c(cc1\C=C\C(N(C)C)=O)C=O)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0f79-3903000000-2562ce5cab85798ac6d1
Source of Spectrum ARK-2008-132-6
Wiley ID 1869427