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trans-3-Hydroxy-2-methyl-5-phenyl-4-pentenoic acid, methyl ester
SpectraBase Compound ID E4P3GUod2HX
InChI InChI=1S/C13H16O3/c1-10(13(15)16-2)12(14)9-8-11-6-4-3-5-7-11/h3-10,12,14H,1-2H3/b9-8+
InChIKey BUZBSPGKKVOQOO-CMDGGOBGSA-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 9iMyjKxKrAv
Name trans-3-Hydroxy-2-methyl-5-phenyl-4-pentenoic acid, methyl ester
CAS Registry Number 75684-48-9
Comments MINOR DIASTEREOMER (15%), REASSIGNED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-10(13(15)16-2)12(14)9-8-11-6-4-3-5-7-11/h3-10,12,14H,1-2H3/b9-8+
InChIKey BUZBSPGKKVOQOO-CMDGGOBGSA-N
Instrument Name Varian CFT-20
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3