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(4S,6R)-CIS-4-(4''-CHLOROPHENYL)-6-(2'-ISOPINOCANPHOXY)-5,6-DIHYDRO-4H-1,2-OXAZINE-3-CARBONITRILE-2-OXIDE
SpectraBase Compound ID BxyyQVmJ4Tr
InChI InChI=1S/C21H25ClN2O3/c1-12-17-8-14(21(17,2)3)9-19(12)26-20-10-16(18(11-23)24(25)27-20)13-4-6-15(22)7-5-13/h4-7,12,14,16-17,19-20H,8-10H2,1-3H3/t12-,14+,16+,17-,19-,20-/m1/s1
InChIKey YXFITPMRVSNLKS-NJZZVMOYSA-N
Mol Weight 388.9 g/mol
Molecular Formula C21H25ClN2O3
Exact Mass 388.15537 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ABD8EjlfIeo
Name (4S,6R)-CIS-4-(4''-CHLOROPHENYL)-6-(2'-ISOPINOCANPHOXY)-5,6-DIHYDRO-4H-1,2-OXAZINE-3-CARBONITRILE-2-OXIDE
Compound Number 7BY
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H25ClN2O3
InChI InChI=1S/C21H25ClN2O3/c1-12-17-8-14(21(17,2)3)9-19(12)26-20-10-16(18(11-23)24(25)27-20)13-4-6-15(22)7-5-13/h4-7,12,14,16-17,19-20H,8-10H2,1-3H3/t12-,14+,16+,17-,19-,20-/m1/s1
InChIKey YXFITPMRVSNLKS-NJZZVMOYSA-N
Literature Reference Author F.FRINGUELLI,M.MATTEUCCI,O.PIERMATTI,F.PIZZO,M.C.BURLA
Literature Reference Citation J.ORG.CHEM.,66,4661(2001)
Literature Reference DOI 10.1021/jo010182v
Molecular Weight 388.894 g/mol
Solvent CDCl3
Source File Reference UWMS28076