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4-[4-(4-carboxy-3-hydroxy-phenyl)buta-1,3-diynyl]-2-hydroxy-benzoic acid
SpectraBase Compound ID A4cumNWqjdf
InChI InChI=1S/C18H10O6/c19-15-9-11(5-7-13(15)17(21)22)3-1-2-4-12-6-8-14(18(23)24)16(20)10-12/h5-10,19-20H,(H,21,22)(H,23,24)
InChIKey BOXQAOAEOQDODB-UHFFFAOYSA-N
Mol Weight 322.27 g/mol
Molecular Formula C18H10O6
Exact Mass 322.047738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4AhoioWc6il
Name 4-[4-(4-carboxy-3-hydroxy-phenyl)buta-1,3-diynyl]-2-hydroxy-benzoic acid
Appearance Light yellow solid
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Exact Mass 322.047738036 u
Formula C18H10O6
InChI InChI=1S/C18H10O6/c19-15-9-11(5-7-13(15)17(21)22)3-1-2-4-12-6-8-14(18(23)24)16(20)10-12/h5-10,19-20H,(H,21,22)(H,23,24)
InChIKey BOXQAOAEOQDODB-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Quality 239
SMILES OC=1C(=CC=C(C#CC#CC2=CC(=C(C=C2)C(O)=O)O)C1)C(=O)O
SPLASH splash10-0fl0-0159000000-02d095bb39d6765768a4
Source of Spectrum WO2014045135A1
Wiley ID 1892610