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5-(3-carboxy-2-thioureido)-1-methylpyrrole-2-carboxylic acid, diethyl ester

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

5-(3-carboxy-2-thioureido)-1-methylpyrrole-2-carboxylic acid, diethyl ester
SpectraBase Compound ID 4o1BPWtJHnc
InChI InChI=1S/C12H17N3O4S/c1-4-18-10(16)8-6-7-9(15(8)3)13-11(20)14-12(17)19-5-2/h6-7H,4-5H2,1-3H3,(H2,13,14,17,20)
InChIKey MNQTZUIGFOHFSU-UHFFFAOYSA-N
Mol Weight 299.35 g/mol
Molecular Formula C12H17N3O4S
Exact Mass 299.093977 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID D2rBuXvGmts
Name 5-(3-CARBOXY-2-THIOUREIDO)-1-METHYLPYRROLE-2-CARBOXYLIC 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 C12H17N3O4S
InChI InChI=1S/C12H17N3O4S/c1-4-18-10(16)8-6-7-9(15(8)3)13-11(20)14-12(17)19-5-2/h6-7H,4-5H2,1-3H3,(H2,13,14,17,20)
InChIKey MNQTZUIGFOHFSU-UHFFFAOYSA-N
Molecular Weight 299.345001
Synonyms PYRROLE-2-CARBOXYLIC ACID, 5-/3-CARBOXY-2-THIOUREIDO/-1-METHYL-, DIETHYL ESTER
Technique KBr WAFER