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2-[(1R,2R,3S,4R)-2-formyl-3-(3-ketobutyl)-4-methyl-cyclohexyl]acrylic acid
SpectraBase Compound ID 6xelNAEcgTS
InChI InChI=1S/C15H22O4/c1-9-4-6-13(11(3)15(18)19)14(8-16)12(9)7-5-10(2)17/h8-9,12-14H,3-7H2,1-2H3,(H,18,19)/t9-,12+,13+,14-/m1/s1
InChIKey ZUVZYHLJLPPRFY-IGJVIKARSA-N
Mol Weight 266.34 g/mol
Molecular Formula C15H22O4
Exact Mass 266.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3sisDQJePg1
Name 2-[(1R,2R,3S,4R)-2-formyl-3-(3-ketobutyl)-4-methyl-cyclohexyl]acrylic acid
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H22O4
InChI InChI=1S/C15H22O4/c1-9-4-6-13(11(3)15(18)19)14(8-16)12(9)7-5-10(2)17/h8-9,12-14H,3-7H2,1-2H3,(H,18,19)/t9-,12+,13+,14-/m1/s1
InChIKey ZUVZYHLJLPPRFY-IGJVIKARSA-N
Literature Reference Author G.D.BROWN
Literature Reference Citation PHYTOCHEM.,36,637(1994)
Literature Reference DOI 10.1016/S0031-9422(00)89788-5
Molecular Weight 266.337 g/mol
Solvent CDCl3
Source File Reference UWMS25644