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Methyl 1,4-dimethyl-2-phenylthio-3-pyrrolecarboxylate
SpectraBase Compound ID BRmzJXTrl8W
InChI InChI=1S/C14H15NO2S/c1-10-9-15(2)13(12(10)14(16)17-3)18-11-7-5-4-6-8-11/h4-9H,1-3H3
InChIKey XNDFXCZURKPATQ-UHFFFAOYSA-N
Mol Weight 261.34 g/mol
Molecular Formula C14H15NO2S
Exact Mass 261.08235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bkgz4dhrRBi
Name Methyl 1,4-dimethyl-2-phenylthio-3-pyrrolecarboxylate
Alternate Name(s) Methyl 1,4-dimethyl-2-(phenylsulfanyl)-1H-pyrrole-3-carboxylate
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Formula C14H15NO2S
InChI InChI=1S/C14H15NO2S/c1-10-9-15(2)13(12(10)14(16)17-3)18-11-7-5-4-6-8-11/h4-9H,1-3H3
InChIKey XNDFXCZURKPATQ-UHFFFAOYSA-N
Molecular Weight 261.339 g/mol
SMILES c1(c(c(C)c[n]1C)C(=O)OC)Sc1ccccc1
SPLASH splash10-0udi-0590000000-10e5e293c624d2680745
Source of Spectrum F-50-109-0
Wiley ID 1264700