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4-(3-carboxy-2-thioureido)-1-methylpyrrole-2-carboxylic acid, diethyl ester
SpectraBase Compound ID Kjksx3Y5Jge
InChI InChI=1S/C12H17N3O4S/c1-4-18-10(16)9-6-8(7-15(9)3)13-11(20)14-12(17)19-5-2/h6-7H,4-5H2,1-3H3,(H2,13,14,17,20)
InChIKey YNNKAJLXIOHDRB-UHFFFAOYSA-N
Mol Weight 299.35 g/mol
Molecular Formula C12H17N3O4S
Exact Mass 299.093977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B6nuTuWYkUX
Name ETHYL-4-(3-ETHOXYCARBONYLTHIOUREIDO)-1-METHYLPYRROL-2-CARBOXYLATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H17N3O4S
InChI InChI=1S/C12H17N3O4S/c1-4-18-10(16)9-6-8(7-15(9)3)13-11(20)14-12(17)19-5-2/h6-7H,4-5H2,1-3H3,(H2,13,14,17,20)
InChIKey YNNKAJLXIOHDRB-UHFFFAOYSA-N
Literature Reference Author L.GREHN
Literature Reference Citation CHEM.SCRIPTA,13,78(1978)
Molecular Weight 299.345 g/mol
Solvent DMSO-D6
Source File Reference UNIW20660