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

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4-(1-methylpyrrol-3-yl)-3-thioallophanic acid, ethyl ester
SpectraBase Compound ID DNDDbJu83q6
InChI InChI=1S/C9H13N3O2S/c1-3-14-9(13)11-8(15)10-7-4-5-12(2)6-7/h4-6H,3H2,1-2H3,(H2,10,11,13,15)
InChIKey NSZWPWUGCYWFET-UHFFFAOYSA-N
Mol Weight 227.28 g/mol
Molecular Formula C9H13N3O2S
Exact Mass 227.072848 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IymDQ2sgCSm
Name 4-(1-METHYLPYRROL-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 C9H13N3O2S
InChI InChI=1S/C9H13N3O2S/c1-3-14-9(13)11-8(15)10-7-4-5-12(2)6-7/h4-6H,3H2,1-2H3,(H2,10,11,13,15)
InChIKey NSZWPWUGCYWFET-UHFFFAOYSA-N
Molecular Weight 227.29
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Jeol FX-100
Synonyms ALLOPHANIC ACID, 4-/1-METHYLPYRROL- 3-YL/-3-THIO-, ETHYL ESTER