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(2E,4R,5R)-5-HYDROXY-4-METHYL-5-PHENYL-2-PENTENOIC-ACID-TERT.-BUTYLESTER
SpectraBase Compound ID 3vrZqd5n6a0
InChI InChI=1S/C16H22O3/c1-12(10-11-14(17)19-16(2,3)4)15(18)13-8-6-5-7-9-13/h5-12,15,18H,1-4H3/b11-10+/t12-,15-/m1/s1
InChIKey AIQZMWUBEHFPHJ-UAJRFJEFSA-N
Mol Weight 262.35 g/mol
Molecular Formula C16H22O3
Exact Mass 262.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JCsyricvYr7
Name (2E,4R,5R)-5-HYDROXY-4-METHYL-5-PHENYL-2-PENTENOIC-ACID-TERT.-BUTYLESTER
Compound Number 4DA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H22O3
InChI InChI=1S/C16H22O3/c1-12(10-11-14(17)19-16(2,3)4)15(18)13-8-6-5-7-9-13/h5-12,15,18H,1-4H3/b11-10+/t12-,15-/m1/s1
InChIKey AIQZMWUBEHFPHJ-UAJRFJEFSA-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 262.349 g/mol
Sample ID 41569
Solvent CDCl3