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(3S,5S)/(3R,5R)-1-ETHYNYL-3-HYDROXY-2-METHYL-5-[(ACETONOXIME)-CARBONYLOXY]-1-CYCLOHEXENE
SpectraBase Compound ID GPIaBaCHNV5
InChI InChI=1S/C13H17NO4/c1-5-10-6-11(7-12(15)9(10)4)17-13(16)18-14-8(2)3/h1,11-12,15H,6-7H2,2-4H3
InChIKey PXADBOQSQQFURP-UHFFFAOYSA-N
Mol Weight 251.28 g/mol
Molecular Formula C13H17NO4
Exact Mass 251.115758 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7qXC1prsj5K
Name (3S,5S)/(3R,5R)-1-ETHYNYL-3-HYDROXY-2-METHYL-5-[(ACETONOXIME)-CARBONYLOXY]-1-CYCLOHEXENE
Compound Number 8/11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H17NO4
InChI InChI=1S/C13H17NO4/c1-5-10-6-11(7-12(15)9(10)4)17-13(16)18-14-8(2)3/h1,11-12,15H,6-7H2,2-4H3
InChIKey PXADBOQSQQFURP-UHFFFAOYSA-N
Literature Reference Author V.GOTOR-FERNANDEZ,M.FERRERO,S.FERNANDEZ,V.GOTOR
Literature Reference Citation J.ORG.CHEM.,64,7504(1999)
Literature Reference DOI 10.1021/jo990813+
Molecular Weight 251.282 g/mol
Sample ID 59469
Solvent CDCl3