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9-HYDROXYHEXYLITACONIC_ACID-1-METHYLESTER;2-[6-HYDROXY-1-(METHOXYCARBONYL)-HEPTYL]-ACRYLIC_ACID
SpectraBase Compound ID 3tuVew1oHGd
InChI InChI=1S/C12H20O5/c1-8(13)6-4-5-7-10(12(16)17-3)9(2)11(14)15/h8,10,13H,2,4-7H2,1,3H3,(H,14,15)
InChIKey QSAIBULZNVPLAJ-UHFFFAOYSA-N
Mol Weight 244.29 g/mol
Molecular Formula C12H20O5
Exact Mass 244.131074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DYYtjOOrQ9V
Name 9-HYDROXYHEXYLITACONIC_ACID-1-METHYLESTER;2-[6-HYDROXY-1-(METHOXYCARBONYL)-HEPTYL]-ACRYLIC_ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H20O5
InChI InChI=1S/C12H20O5/c1-8(13)6-4-5-7-10(12(16)17-3)9(2)11(14)15/h8,10,13H,2,4-7H2,1,3H3,(H,14,15)
InChIKey QSAIBULZNVPLAJ-UHFFFAOYSA-N
Literature Reference Author C.KLEMKE,S.KEHRAUS,A.D.WRIGHT,G.M.KOENIG
Literature Reference Citation J.NAT.PROD.,67,1058(2004)
Literature Reference DOI 10.1021/np034061x
Molecular Weight 244.288 g/mol
Solvent ACETONE-D6
Source File Reference UWMZ5824