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4-(1-methyl-4-nitropyrrol-3-yl)-3-thioallophanic acid, ethyl ester
SpectraBase Compound ID D7MemM8YcnF
InChI InChI=1S/C9H12N4O4S/c1-3-17-9(14)11-8(18)10-6-4-12(2)5-7(6)13(15)16/h4-5H,3H2,1-2H3,(H2,10,11,14,18)
InChIKey GJGMTKNJVGVZNG-UHFFFAOYSA-N
Mol Weight 272.28 g/mol
Molecular Formula C9H12N4O4S
Exact Mass 272.057926 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KOGjlDvzt3w
Name 3-(3-ETHOXYCARBONYLTHIOUREIDO)-1-METHYL-4-NITROPYRROL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12N4O4S
InChI InChI=1S/C9H12N4O4S/c1-3-17-9(14)11-8(18)10-6-4-12(2)5-7(6)13(15)16/h4-5H,3H2,1-2H3,(H2,10,11,14,18)
InChIKey GJGMTKNJVGVZNG-UHFFFAOYSA-N
Literature Reference Author L.GREHN
Literature Reference Citation CHEM.SCRIPTA,13,78(1978)
Molecular Weight 272.279 g/mol
Solvent DMSO-D6
Source File Reference UNIW20669