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Methyl 3-{N-[2''-(allylthio)phenyl]pyrrol-2'-yl}-propenoate
SpectraBase Compound ID 1QCIdqd1yIR
InChI InChI=1S/C17H17NO2S/c1-3-13-21-16-9-5-4-8-15(16)18-12-6-7-14(18)10-11-17(19)20-2/h3-12H,1,13H2,2H3/b11-10+
InChIKey RUUGJJLIJUBTSK-ZHACJKMWSA-N
Mol Weight 299.39 g/mol
Molecular Formula C17H17NO2S
Exact Mass 299.098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C8HryAXyqXc
Name Methyl 3-{N-[2''-(allylthio)phenyl]pyrrol-2'-yl}-propenoate
Alternate Name(s) Methyl 3-{N-[2'-(allylthio)phenyl]pyrrol-2'-yl}-propenoate (E)-methyl 3-(1-(2-(allylthio)phenyl)-1H-pyrrol-2-yl)acrylate (E)-3-[1-[2-(prop-2-enylthio)phenyl]-2-pyrrolyl]-2-propenoic acid methyl ester Methyl (E)-3-[1-(2-allylsulfanylphenyl)pyrrol-2-yl]prop-2-enoate Methyl (E)-3-[1-(2-prop-2-enylsulfanylphenyl)pyrrol-2-yl]prop-2-enoate
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Formula C17H17NO2S
InChI InChI=1S/C17H17NO2S/c1-3-13-21-16-9-5-4-8-15(16)18-12-6-7-14(18)10-11-17(19)20-2/h3-12H,1,13H2,2H3/b11-10+
InChIKey RUUGJJLIJUBTSK-ZHACJKMWSA-N
Molecular Weight 299.388 g/mol
SMILES c1([n](ccc1)-c1c(SCC=C)cccc1)\C=C\C(=O)OC
SPLASH splash10-002b-0890000000-ff67ebe354e59ea43763
Source of Spectrum F5-4-2450-10
Wiley ID 1732863