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3-O-ACETYLNIDULOIC_ACID;(S)-3-ACETOXY-5-(PARA-HYDROXYPHENYL)-PENTANOIC_ACID

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3-O-ACETYLNIDULOIC_ACID;(S)-3-ACETOXY-5-(PARA-HYDROXYPHENYL)-PENTANOIC_ACID
SpectraBase Compound ID 1b6t7oJ6Zr9
InChI InChI=1S/C13H16O5/c1-9(14)18-12(8-13(16)17)7-4-10-2-5-11(15)6-3-10/h2-3,5-6,12,15H,4,7-8H2,1H3,(H,16,17)/t12-/m1/s1
InChIKey XCHKWGBIYWPJOT-GFCCVEGCSA-N
Mol Weight 252.27 g/mol
Molecular Formula C13H16O5
Exact Mass 252.099774 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HAN7s7TpIw6
Name 3-O-ACETYLNIDULOIC_ACID;(S)-3-ACETOXY-5-(PARA-HYDROXYPHENYL)-PENTANOIC_ACID
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H16O5
InChI InChI=1S/C13H16O5/c1-9(14)18-12(8-13(16)17)7-4-10-2-5-11(15)6-3-10/h2-3,5-6,12,15H,4,7-8H2,1H3,(H,16,17)/t12-/m1/s1
InChIKey XCHKWGBIYWPJOT-GFCCVEGCSA-N
Literature Reference Author P.L.WU,Y.L.HSU,C.W.ZAO,A.G.DAMU,T.S.WU
Literature Reference Citation J.NAT.PROD.,68,1180(2005)
Literature Reference DOI 10.1021/np050060o
Molecular Weight 252.267 g/mol
Solvent CDCl3
Source File Reference UWMZ13411