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(3S,5R)-1-ETHYNYL-3-HYDROXY-2-METHYL-5-(PHENOXYCARBONYL)-1-CYCLOHEXENE
SpectraBase Compound ID LReS5rspxNm
InChI InChI=1S/C16H16O4/c1-3-12-9-14(10-15(17)11(12)2)20-16(18)19-13-7-5-4-6-8-13/h1,4-8,14-15,17H,9-10H2,2H3/t14-,15+/m0/s1
InChIKey ZPNAKKYQLYYDPJ-LSDHHAIUSA-N
Mol Weight 272.3 g/mol
Molecular Formula C16H16O4
Exact Mass 272.104859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2jEdVDhUAR7
Name (3S,5R)-1-ETHYNYL-3-HYDROXY-2-METHYL-5-(PHENOXYCARBONYL)-1-CYCLOHEXENE
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H16O4
InChI InChI=1S/C16H16O4/c1-3-12-9-14(10-15(17)11(12)2)20-16(18)19-13-7-5-4-6-8-13/h1,4-8,14-15,17H,9-10H2,2H3/t14-,15+/m0/s1
InChIKey ZPNAKKYQLYYDPJ-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 272.301 g/mol
Solvent CDCl3
Source File Reference UWCS23124