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

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4-(1,2-dimethylpyrrol-3-yl)-3-thioallophanic acid, ethyl ester
SpectraBase Compound ID Cf2wr5HWEpM
InChI InChI=1S/C10H15N3O2S/c1-4-15-10(14)12-9(16)11-8-5-6-13(3)7(8)2/h5-6H,4H2,1-3H3,(H2,11,12,14,16)
InChIKey QWVVZZSUOLBAGN-UHFFFAOYSA-N
Mol Weight 241.31 g/mol
Molecular Formula C10H15N3O2S
Exact Mass 241.088498 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J2B2TfbHJ28
Name 4-(1,2-DIMETHYLPYRROL-3-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 C10H15N3O2S
InChI InChI=1S/C10H15N3O2S/c1-4-15-10(14)12-9(16)11-8-5-6-13(3)7(8)2/h5-6H,4H2,1-3H3,(H2,11,12,14,16)
InChIKey QWVVZZSUOLBAGN-UHFFFAOYSA-N
Molecular Weight 241.31
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Jeol FX-100
Synonyms ALLOPHANIC ACID, 4-/1,2-DIMETHYLPYRROL-3-YL/-3-THIO-, ETHYL ESTER