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3-(3-ETHOXYCARBONYLTHIOUREIDO)-2-METHOXYMETHYL-1-METHYLPYRROL

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

3-(3-ETHOXYCARBONYLTHIOUREIDO)-2-METHOXYMETHYL-1-METHYLPYRROL
SpectraBase Compound ID 9QisTPylPi2
InChI InChI=1S/C15H22N4O5S2/c1-5-23-14(20)17-12(25)11-10(7-9(8-22-4)19(11)3)16-13(26)18-15(21)24-6-2/h7H,5-6,8H2,1-4H3,(H,17,20,25)(H2,16,18,21,26)
InChIKey SVTQEHWTYJXABE-UHFFFAOYSA-N
Mol Weight 402.48 g/mol
Molecular Formula C15H22N4O5S2
Exact Mass 402.103162 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID lZ6IMIBhYR
Name 4-{2-[CARBOXY(THIOCARBAMOYL)]-5-(METHOXYMETHYL)-1-METHYLPYRROL-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 C15H22N4O5S2
InChI InChI=1S/C15H22N4O5S2/c1-5-23-14(20)17-12(25)11-10(7-9(8-22-4)19(11)3)16-13(26)18-15(21)24-6-2/h7H,5-6,8H2,1-4H3,(H,17,20,25)(H2,16,18,21,26)
InChIKey SVTQEHWTYJXABE-UHFFFAOYSA-N
Molecular Weight 402.484009
Synonyms ALLOPHANIC ACID, 4-/2-/CARBOXY- /THIOCARBAMOYL//-5-/METHOXYMETHYL/- 1-METHYLPYRROL-3-YL/-3-THIO-, DIETHYL ESTER
Technique FILM (CAST FROM CHCl3)