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(3S,5R)-5-([N-BUTYLCARBAMOYL]-OXY)-1-ETHYNYL-3-HYDROXY-2-METHYL-1-CYCLOHEXENE
SpectraBase Compound ID KGgA9vb5n34
InChI InChI=1S/C14H21NO3/c1-4-6-7-15-14(17)18-12-8-11(5-2)10(3)13(16)9-12/h2,12-13,16H,4,6-9H2,1,3H3,(H,15,17)/t12-,13+/m0/s1
InChIKey YJVPZKFKQBOXOC-QWHCGFSZSA-N
Mol Weight 251.33 g/mol
Molecular Formula C14H21NO3
Exact Mass 251.152144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8iaujvIREcd
Name (3S,5R)-5-([N-BUTYLCARBAMOYL]-OXY)-1-ETHYNYL-3-HYDROXY-2-METHYL-1-CYCLOHEXENE
Compound Number 19B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H21NO3
InChI InChI=1S/C14H21NO3/c1-4-6-7-15-14(17)18-12-8-11(5-2)10(3)13(16)9-12/h2,12-13,16H,4,6-9H2,1,3H3,(H,15,17)/t12-,13+/m0/s1
InChIKey YJVPZKFKQBOXOC-QWHCGFSZSA-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 251.326 g/mol
Solvent CDCl3
Source File Reference UWCS23126