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4-(1-methyl-4-nitropyrrol-2-yl)-3-thioallophanic acid, ethyl ester
SpectraBase Compound ID ARf36u09Gaw
InChI InChI=1S/C9H12N4O4S/c1-3-17-9(14)11-8(18)10-7-4-6(13(15)16)5-12(7)2/h4-5H,3H2,1-2H3,(H2,10,11,14,18)
InChIKey BQKABMCVWCSTJU-UHFFFAOYSA-N
Mol Weight 272.28 g/mol
Molecular Formula C9H12N4O4S
Exact Mass 272.057926 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fq1zNwil9ex
Name 4-(1-methyl-4-nitropyrrol-2-yl)-3-thioallophanic acid, ethyl ester
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Formula C9H12N4O4S
InChI InChI=1S/C9H12N4O4S/c1-3-17-9(14)11-8(18)10-7-4-6(13(15)16)5-12(7)2/h4-5H,3H2,1-2H3,(H2,10,11,14,18)
InChIKey BQKABMCVWCSTJU-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 32173M
Solvent CDCl3