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2-DICYCLOHEXYLAMINO-4-METHYLTHIO-6-OXO-6H-1,3-OXAZINE-5-CARBONITRILE
SpectraBase Compound ID HeaTMX7o88k
InChI InChI=1S/C18H25N3O2S/c1-24-16-15(12-19)17(22)23-18(20-16)21(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h13-14H,2-11H2,1H3
InChIKey YEQZUKDWAZZFJF-UHFFFAOYSA-N
Mol Weight 347.48 g/mol
Molecular Formula C18H25N3O2S
Exact Mass 347.166748 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D3TjRnyXFdi
Name 2-DICYCLOHEXYLAMINO-4-METHYLTHIO-6-OXO-6H-1,3-OXAZINE-5-CARBONITRILE
Compound Number 4C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H25N3O2S
InChI InChI=1S/C18H25N3O2S/c1-24-16-15(12-19)17(22)23-18(20-16)21(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h13-14H,2-11H2,1H3
InChIKey YEQZUKDWAZZFJF-UHFFFAOYSA-N
Literature Reference Author R.NEIDLEIN,P.MEFFERT
Literature Reference Citation HETEROCYCLES,40,159(1995)
Literature Reference DOI 10.3987/COM-94-S5
Molecular Weight 347.475 g/mol
Solvent CDCl3
Source File Reference UWCP2567