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1-N-DODECYL-2,3-DIHYDRO-2-THIOXO-1H-IMIDAZOLE-4-CARBOXALDEHYDE
SpectraBase Compound ID LI3FsBKbAaD
InChI InChI=1S/C16H28N2OS/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-15(14-19)17-16(18)20/h13-14H,2-12H2,1H3,(H,17,20)
InChIKey XIQVRIZBCAOQJI-UHFFFAOYSA-N
Mol Weight 296.47 g/mol
Molecular Formula C16H28N2OS
Exact Mass 296.192235 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6XTBgdoGS5b
Name 1-N-DODECYL-2,3-DIHYDRO-2-THIOXO-1H-IMIDAZOLE-4-CARBOXALDEHYDE
CAS Registry Number 123540-59-0
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H28N2OS
InChI InChI=1S/C16H28N2OS/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-15(14-19)17-16(18)20/h13-14H,2-12H2,1H3,(H,17,20)
InChIKey XIQVRIZBCAOQJI-UHFFFAOYSA-N
Literature Reference Author I.ROBINA,J.FUENTES,J.FERNANDEZ-BOLANOS,M.D.ESTRADA,A.LOPEZ-C ASTRO
Literature Reference Citation J.ORG.CHEM.,55,750(1990)
Literature Reference DOI 10.1021/jo00289a060
Molecular Weight 296.471 g/mol
Solvent DMSO-D6
Source File Reference UWED14665