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(2E,5R)-5-HYDROXY-2-METHYL-5-PHENYL-2-PENTENOIC-ACID-METHYLESTER
SpectraBase Compound ID AbtjkqIEDIe
InChI InChI=1S/C13H16O3/c1-10(13(15)16-2)8-9-12(14)11-6-4-3-5-7-11/h3-8,12,14H,9H2,1-2H3/b10-8+/t12-/m1/s1
InChIKey YYASJXUVWPEKFL-ZJNQMXKESA-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 CqGbNyA6yFF
Name (2E,5R)-5-HYDROXY-2-METHYL-5-PHENYL-2-PENTENOIC-ACID-METHYLESTER
Compound Number 4BA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-10(13(15)16-2)8-9-12(14)11-6-4-3-5-7-11/h3-8,12,14H,9H2,1-2H3/b10-8+/t12-/m1/s1
InChIKey YYASJXUVWPEKFL-ZJNQMXKESA-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 41564
Solvent CDCl3