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(3S,5R)-1-ETHYNYL-3-HYDROXY-5-([N-(6-HYDROXYHEXYL)-CARBAMOYL]-OXY)-2-METHYL-1-CYCLOHEXENE
SpectraBase Compound ID BQwZ79h0MnA
InChI InChI=1S/C16H25NO4/c1-3-13-10-14(11-15(19)12(13)2)21-16(20)17-8-6-4-5-7-9-18/h1,14-15,18-19H,4-11H2,2H3,(H,17,20)/t14-,15+/m0/s1
InChIKey NVFZLYBCQCTURI-LSDHHAIUSA-N
Mol Weight 295.38 g/mol
Molecular Formula C16H25NO4
Exact Mass 295.178358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ICIasena05m
Name (3S,5R)-1-ETHYNYL-3-HYDROXY-5-([N-(6-HYDROXYHEXYL)-CARBAMOYL]-OXY)-2-METHYL-1-CYCLOHEXENE
Compound Number 19F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H25NO4
InChI InChI=1S/C16H25NO4/c1-3-13-10-14(11-15(19)12(13)2)21-16(20)17-8-6-4-5-7-9-18/h1,14-15,18-19H,4-11H2,2H3,(H,17,20)/t14-,15+/m0/s1
InChIKey NVFZLYBCQCTURI-LSDHHAIUSA-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 295.379 g/mol
Solvent CDCl3
Source File Reference UWCS23128