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1-OXO-2-BETA-[3-BUTANONE]-3-ALPHA-METHYL-6-BETA-[2-PROPANOIC-ACID]-CYCLOHEXANE
SpectraBase Compound ID 9z317KT3h8e
InChI InChI=1S/C14H22O4/c1-8-4-6-12(10(3)14(17)18)13(16)11(8)7-5-9(2)15/h8,10-12H,4-7H2,1-3H3,(H,17,18)/t8-,10+,11+,12+/m0/s1
InChIKey SRIAUFRKRAJBGZ-JTLRNRKASA-N
Mol Weight 254.33 g/mol
Molecular Formula C14H22O4
Exact Mass 254.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 88bAvvwiAMB
Name 1-OXO-2-BETA-[3-BUTANONE]-3-ALPHA-METHYL-6-BETA-[2-PROPANOIC-ACID]-CYCLOHEXANE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H22O4
InChI InChI=1S/C14H22O4/c1-8-4-6-12(10(3)14(17)18)13(16)11(8)7-5-9(2)15/h8,10-12H,4-7H2,1-3H3,(H,17,18)/t8-,10+,11+,12+/m0/s1
InChIKey SRIAUFRKRAJBGZ-JTLRNRKASA-N
Literature Reference Author G.D.BROWN,G.Y.LIANG,L.K.SY
Literature Reference Citation PHYTOCHEM.,64,303(2003)
Literature Reference DOI 10.1016/S0031-9422(03)00294-2
Molecular Weight 254.326 g/mol
Solvent CDCl3
Source File Reference UWKP810