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(S)-(+)-4-[1-(2-HYDROXY-4-METHYL)-PHENYL)]-PENTANOIC-ACID

View entire compound with spectra: 1 NMR

(S)-(+)-4-[1-(2-HYDROXY-4-METHYL)-PHENYL)]-PENTANOIC-ACID
SpectraBase Compound ID Dyct6TCAoh5
InChI InChI=1S/C12H16O3/c1-8-3-5-10(11(13)7-8)9(2)4-6-12(14)15/h3,5,7,9,13H,4,6H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKey UYTHOUHYLZYNOZ-SECBINFHSA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID VA9nLpU2Ym
Name (S)-(+)-4-[1-(2-HYDROXY-4-METHYL)-PHENYL)]-PENTANOIC-ACID
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-8-3-5-10(11(13)7-8)9(2)4-6-12(14)15/h3,5,7,9,13H,4,6H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKey UYTHOUHYLZYNOZ-SECBINFHSA-N
Literature Reference Author K.A.ELSAYED,M.YOUSAF,M.T.HAMANN,M.A.AVERY,M.KELLY,P.WIPF
Literature Reference Citation J.NAT.PROD.,65,1547(2002)
Literature Reference DOI 10.1021/np020213x
Molecular Weight 208.257 g/mol
Solvent CDCl3
Source File Reference UWSI7141