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

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

4-(1-methyl-2-pyrrolidinylidene)-3-thioallophanic acid, ethyl ester
SpectraBase Compound ID 8Kvb7l6XFhg
InChI InChI=1S/C9H15N3O2S/c1-3-14-9(13)11-8(15)10-7-5-4-6-12(7)2/h3-6H2,1-2H3,(H,11,13,15)/b10-7+
InChIKey YIAOHIKVRZOWCH-JXMROGBWSA-N
Mol Weight 229.3 g/mol
Molecular Formula C9H15N3O2S
Exact Mass 229.088498 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Ch7odldHvE
Name 4-(1-METHYL-2-PYRROLIDINYLIDENE)-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 C9H15N3O2S
InChI InChI=1S/C9H15N3O2S/c1-3-14-9(13)11-8(15)10-7-5-4-6-12(7)2/h3-6H2,1-2H3,(H,11,13,15)/b10-7+
InChIKey YIAOHIKVRZOWCH-JXMROGBWSA-N
Molecular Weight 229.30
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Jeol FX-100
Synonyms ALLOPHANIC ACID, 4-/1-METHYL- 2-PYRROLIDINYLIDENE/-3-THIO-, ETHYL ESTER