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2,6-DIHYDROXY-4,5-DIMETHYL-3-(3-OXO-1-BUTENYL)-BENZOIC-ACID
SpectraBase Compound ID JWNCAFIuB6Z
InChI InChI=1S/C13H14O5/c1-6(14)4-5-9-7(2)8(3)11(15)10(12(9)16)13(17)18/h4-5,15-16H,1-3H3,(H,17,18)/b5-4+
InChIKey KOKRQMCLMWELOX-SNAWJCMRSA-N
Mol Weight 250.25 g/mol
Molecular Formula C13H14O5
Exact Mass 250.084124 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5FQgPlytHqz
Name 2,6-DIHYDROXY-4,5-DIMETHYL-3-(3-OXO-1-BUTENYL)-BENZOIC-ACID
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H14O5
InChI InChI=1S/C13H14O5/c1-6(14)4-5-9-7(2)8(3)11(15)10(12(9)16)13(17)18/h4-5,15-16H,1-3H3,(H,17,18)/b5-4+
InChIKey KOKRQMCLMWELOX-SNAWJCMRSA-N
Literature Reference Author X.H.NONG,Z.H.ZHENG,X.Y.ZHANG,X.H.LU,S.H.QI
Literature Reference Citation MAR.DRUGS,11,1718(2013)
Literature Reference DOI 10.3390/md11051718
Molecular Weight 250.251 g/mol
Source File Reference UWLU74852