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(3A-S,6R,6A-R,1'S)-5-CYANO-3-(1',2'-O-ISOPROPYLIDENEDIOXYETHYL)-5-METHYL-3A,5,6,6A-TETRAHYDROFURO-[2,3-D]-ISOXAZOLE
SpectraBase Compound ID AmBj6U16v6u
InChI InChI=1S/C12H16N2O5/c1-11(2)16-4-6(17-11)7-8-9(19-14-7)10(15)12(3,5-13)18-8/h6,8-10,15H,4H2,1-3H3/t6-,8-,9+,10-,12?/m0/s1
InChIKey YKIZXNZFSHHGFB-QNAKQVMMSA-N
Mol Weight 268.27 g/mol
Molecular Formula C12H16N2O5
Exact Mass 268.105922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LbovjGxqyOY
Name (3A-S,6R,6A-R,1'S)-5-CYANO-3-(1',2'-O-ISOPROPYLIDENEDIOXYETHYL)-5-METHYL-3A,5,6,6A-TETRAHYDROFURO-[2,3-D]-ISOXAZOLE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16N2O5
InChI InChI=1S/C12H16N2O5/c1-11(2)16-4-6(17-11)7-8-9(19-14-7)10(15)12(3,5-13)18-8/h6,8-10,15H,4H2,1-3H3/t6-,8-,9+,10-,12?/m0/s1
InChIKey YKIZXNZFSHHGFB-QNAKQVMMSA-N
Literature Reference Author P.J.ZIMMERMANN,J.Y.LEE,I.HLOBILOVA,R.ENDERMANN,D.HAEBICH,V.J AEGER
Literature Reference Citation EUR.J.ORG.CHEM.,3450(2005)
Literature Reference DOI 10.1002/ejoc.200500148
Molecular Weight 268.269 g/mol
Sample ID 30088
Solvent CDCl3