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(3S,5R)-1-ETHYNYL-3-HYDROXY-5-([N-(2-HYDROXYETHYL)-CARBAMOYL]-OXY)-2-METHYL-1-CYCLOHEXENE
SpectraBase Compound ID K1cviNF7p9q
InChI InChI=1S/C12H17NO4/c1-3-9-6-10(7-11(15)8(9)2)17-12(16)13-4-5-14/h1,10-11,14-15H,4-7H2,2H3,(H,13,16)/t10-,11+/m0/s1
InChIKey FXSQIYZZGXZYMW-WDEREUQCSA-N
Mol Weight 239.27 g/mol
Molecular Formula C12H17NO4
Exact Mass 239.115758 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1uwuzRIB4o4
Name (3S,5R)-1-ETHYNYL-3-HYDROXY-5-([N-(2-HYDROXYETHYL)-CARBAMOYL]-OXY)-2-METHYL-1-CYCLOHEXENE
Compound Number 19E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H17NO4
InChI InChI=1S/C12H17NO4/c1-3-9-6-10(7-11(15)8(9)2)17-12(16)13-4-5-14/h1,10-11,14-15H,4-7H2,2H3,(H,13,16)/t10-,11+/m0/s1
InChIKey FXSQIYZZGXZYMW-WDEREUQCSA-N
Literature Reference Author M.FERRERO,S.FERNANDEZ,V.GOTOR
Literature Reference Citation J.ORG.CHEM.,62,4358(1997)
Literature Reference DOI 10.1021/jo970133b
Molecular Weight 239.271 g/mol
Solvent CD3OD
Source File Reference UWCS23127