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(1R,5R,6R)-5-(ethylthio)carbonyl-2-keto-4-methyl-6-(2-methylprop-1-enyl)cyclohex-3-ene-1-carboxylic acid methyl ester
SpectraBase Compound ID 5Jjuol09TiY
InChI InChI=1S/C16H22O4S/c1-6-21-16(19)13-10(4)8-12(17)14(15(18)20-5)11(13)7-9(2)3/h7-8,11,13-14H,6H2,1-5H3/t11-,13-,14+/m0/s1
InChIKey RXSOIUNPJLXEKC-FPMFFAJLSA-N
Mol Weight 310.41 g/mol
Molecular Formula C16H22O4S
Exact Mass 310.12388 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KGeMp1Fm3Yf
Name (1R,5R,6R)-5-(ethylthio)carbonyl-2-keto-4-methyl-6-(2-methylprop-1-enyl)cyclohex-3-ene-1-carboxylic acid methyl ester
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H22O4S
InChI InChI=1S/C16H22O4S/c1-6-21-16(19)13-10(4)8-12(17)14(15(18)20-5)11(13)7-9(2)3/h7-8,11,13-14H,6H2,1-5H3/t11-,13-,14+/m0/s1
InChIKey RXSOIUNPJLXEKC-FPMFFAJLSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2007)
Molecular Weight 310.408 g/mol
Source File Reference MHKO15445