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(S,E)-METHYL-2-(4,5-DIHYDROXYPENT-1-ENYL)-BENZOATE
SpectraBase Compound ID AujnpfSK8Lm
InChI InChI=1S/C13H16O4/c1-17-13(16)12-8-3-2-5-10(12)6-4-7-11(15)9-14/h2-6,8,11,14-15H,7,9H2,1H3/b6-4+/t11-/m1/s1
InChIKey XUMLPABUTNSLMQ-DUMNWFOQSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KTN92rZhtNk
Name (S,E)-METHYL-2-(4,5-DIHYDROXYPENT-1-ENYL)-BENZOATE
Compound Number 24
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-17-13(16)12-8-3-2-5-10(12)6-4-7-11(15)9-14/h2-6,8,11,14-15H,7,9H2,1H3/b6-4+/t11-/m1/s1
InChIKey XUMLPABUTNSLMQ-DUMNWFOQSA-N
Literature Reference Author M.KAPUR,A.KHARTULYARI,M.E.MAIER
Literature Reference Citation ORG.LETTERS,8,1629(2006)
Literature Reference DOI 10.1021/ol0602194
Molecular Weight 236.268 g/mol
Sample ID 59020
Solvent CDCl3