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(2E,5R)-5-HYDROXY-5-PHENYL-2-PENTENOIC-ACID-ETHYLESTER
SpectraBase Compound ID HTVGE1NSugm
InChI InChI=1S/C13H16O3/c1-2-16-13(15)10-6-9-12(14)11-7-4-3-5-8-11/h3-8,10,12,14H,2,9H2,1H3/b10-6+/t12-/m1/s1
InChIKey CIWMXKRPVADVDK-GCZGVDRJSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KHIpRaVoyvI
Name (2E,5R)-5-HYDROXY-5-PHENYL-2-PENTENOIC-ACID-ETHYLESTER
Compound Number 4AA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-2-16-13(15)10-6-9-12(14)11-7-4-3-5-8-11/h3-8,10,12,14H,2,9H2,1H3/b10-6+/t12-/m1/s1
InChIKey CIWMXKRPVADVDK-GCZGVDRJSA-N
Literature Reference Author S.E.DENMARK,G.L.BEUTNER
Literature Reference Citation J.AM.CHEM.SOC.,125,7800(2003)
Literature Reference DOI 10.1021/ja035448p
Molecular Weight 220.268 g/mol
Sample ID 41561
Solvent CDCl3