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(1S,3R,4A-R)-3-HYDROXY-4-(2-IODOVINYLIDENE)-3,5,5-TRIMETHYL-CYCLOHEX-1-YL-ACETATE

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(1S,3R,4A-R)-3-HYDROXY-4-(2-IODOVINYLIDENE)-3,5,5-TRIMETHYL-CYCLOHEX-1-YL-ACETATE
SpectraBase Compound ID BqIGsaTG7PG
InChI InChI=1S/C13H19IO3/c1-9(15)17-10-7-12(2,3)11(5-6-14)13(4,16)8-10/h6,10,16H,7-8H2,1-4H3/t5?,10-,13+/m0/s1
InChIKey UVMAHRVRHIUDDF-BRFFUQENSA-N
Mol Weight 350.2 g/mol
Molecular Formula C13H19IO3
Exact Mass 350.037889 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JGudL1YcicD
Name (1S,3R,4A-S)-3-HYDROXY-4-(2-IODOVINYLIDENE)-3,5,5-TRIMETHYL-CYCLOHEX-1-YL-ACETATE
Compound Number 7B-(1S,3R,4A-S )
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H19IO3
InChI InChI=1S/C13H19IO3/c1-9(15)17-10-7-12(2,3)11(5-6-14)13(4,16)8-10/h6,10,16H,7-8H2,1-4H3/t5?,10-,13+/m0/s1
InChIKey UVMAHRVRHIUDDF-BRFFUQENSA-N
Literature Reference Author B.VAZ,R.ALVAREZ,R.BRUECKNER,A.R.D.LERA
Literature Reference Citation ORG.LETTERS,7,545(2005)
Literature Reference DOI 10.1021/ol0478281
Molecular Weight 350.197 g/mol
Sample ID 42120
Solvent CDCl3