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4-(1-methyl-4-nitropyrrol-2-yl)-3-thioallophanic acid, ethyl ester

View entire compound with spectra: 4 NMR, 1 FTIR, and 1 UV-Vis

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I9UzQQ9PdO4
Name 4-(1-METHYL-4-NITROPYRROL-2-YL)-3-THIOALLOPHANIC ACID, ETHYL ESTER
Source of Sample L. Grehn Chem. Scripta 13, 78(1978)
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Molecular Weight 272.28
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Jeol FX-100
Synonyms ALLOPHANIC ACID, 4-/1-METHYL- 4-NITROPYRROL-2-YL/-3-THIO-, ETHYL ESTER