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4-{5-[carboxy(thiocarbamoyl)]-1,2-dimethylpyrrol-3-yl}-3-thioallophanic acid, diethyl ester

View entire compound with spectra: 3 NMR, and 1 FTIR

4-{5-[carboxy(thiocarbamoyl)]-1,2-dimethylpyrrol-3-yl}-3-thioallophanic acid, diethyl ester
SpectraBase Compound ID 1iXWvAwoSW7
InChI InChI=1S/C14H20N4O4S2/c1-5-21-13(19)16-11(23)10-7-9(8(3)18(10)4)15-12(24)17-14(20)22-6-2/h7H,5-6H2,1-4H3,(H,16,19,23)(H2,15,17,20,24)
InChIKey IANUUJAFBAJSIJ-UHFFFAOYSA-N
Mol Weight 372.46 g/mol
Molecular Formula C14H20N4O4S2
Exact Mass 372.092597 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID JpBQDLDW3Mw
Name 4-{5-[CARBOXY(THIOCARBAMOYL)]-1,2-DIMETHYLPYRROL-3-YL}-3-THIOALLOPHANIC ACID, DIETHYL ESTER
Source of Sample L. Grehn, University of Uppsala, Uppsala, Sweden
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20N4O4S2
InChI InChI=1S/C14H20N4O4S2/c1-5-21-13(19)16-11(23)10-7-9(8(3)18(10)4)15-12(24)17-14(20)22-6-2/h7H,5-6H2,1-4H3,(H,16,19,23)(H2,15,17,20,24)
InChIKey IANUUJAFBAJSIJ-UHFFFAOYSA-N
Molecular Weight 372.458008
Synonyms ALLOPHANIC ACID, 4-/5-/CARBOXY- /THIOCARBAMOYL//-1,2-DIMETHYLPYRROL- 3-YL/-3-THIO-, DIETHYL ESTER
Technique FILM (CAST FROM CHCl3)