For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-N-OCTYL-2,3-DIHYDRO-2-THIOXO-1H-IMIDAZOLE-4-CARBOXALDEHYDE
SpectraBase Compound ID L4jtPn1tx8v
InChI InChI=1S/C12H20N2OS/c1-2-3-4-5-6-7-8-14-9-11(10-15)13-12(14)16/h9-10H,2-8H2,1H3,(H,13,16)
InChIKey VRXQKCLNIBKNMV-UHFFFAOYSA-N
Mol Weight 240.36 g/mol
Molecular Formula C12H20N2OS
Exact Mass 240.129634 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HKSZ2ZJZaEe
Name 1-N-OCTYL-2,3-DIHYDRO-2-THIOXO-1H-IMIDAZOLE-4-CARBOXALDEHYDE
CAS Registry Number 123540-58-9
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H20N2OS
InChI InChI=1S/C12H20N2OS/c1-2-3-4-5-6-7-8-14-9-11(10-15)13-12(14)16/h9-10H,2-8H2,1H3,(H,13,16)
InChIKey VRXQKCLNIBKNMV-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 240.364 g/mol
Solvent DMSO-D6
Source File Reference UWED14664