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(4R,6S)-CIS-4-(4''-CHLOROPHENYL)-6-(2'-ISOCARANOXY)-5,6-DIHYDRO-4H-1,2-OXAZINE-3-CARBONITRILE-2-OXIDE
SpectraBase Compound ID F60jK19BTYr
InChI InChI=1S/C21H25ClN2O3/c1-12-4-9-16-19(21(16,2)3)20(12)26-18-10-15(17(11-23)24(25)27-18)13-5-7-14(22)8-6-13/h5-8,12,15-16,18-20H,4,9-10H2,1-3H3/t12-,15+,16+,18-,19+,20+/m0/s1
InChIKey WTDSGJPGJOLIHZ-HEXZBGTPSA-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 JALI1IYiYO0
Name (4R,6S)-CIS-4-(4''-CHLOROPHENYL)-6-(2'-ISOCARANOXY)-5,6-DIHYDRO-4H-1,2-OXAZINE-3-CARBONITRILE-2-OXIDE
Compound Number 6BX
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H25ClN2O3
InChI InChI=1S/C21H25ClN2O3/c1-12-4-9-16-19(21(16,2)3)20(12)26-18-10-15(17(11-23)24(25)27-18)13-5-7-14(22)8-6-13/h5-8,12,15-16,18-20H,4,9-10H2,1-3H3/t12-,15+,16+,18-,19+,20+/m0/s1
InChIKey WTDSGJPGJOLIHZ-HEXZBGTPSA-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 UWMS28075