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4-(3-phenethyl-2-thioureido)-3-thioallophanic acid, ethyl ester

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 UV-Vis

4-(3-phenethyl-2-thioureido)-3-thioallophanic acid, ethyl ester
SpectraBase Compound ID HXzFqb8tlud
InChI InChI=1S/C13H18N4O2S2/c1-2-19-13(18)15-12(21)17-16-11(20)14-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,14,16,20)(H2,15,17,18,21)
InChIKey HDCSXCDQBARHBC-UHFFFAOYSA-N
Mol Weight 326.43 g/mol
Molecular Formula C13H18N4O2S2
Exact Mass 326.087118 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9FKmPY9m9Ru
Name 4-(3-PHENETHYL-2-THIOUREIDO)-3-THIOALLOPHANIC ACID, ETHYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18N4O2S2
InChI InChI=1S/C13H18N4O2S2/c1-2-19-13(18)15-12(21)17-16-11(20)14-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,14,16,20)(H2,15,17,18,21)
InChIKey HDCSXCDQBARHBC-UHFFFAOYSA-N
Melting Point 172-174C
Molecular Weight 326.44
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms ALLOPHANIC ACID, 4-/3-PHENETHYL- 2-THIOUREIDO/-3-THIO-, ETHYL ESTER