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3-[(E)-3-(2-hydroxyphenyl)-3-keto-prop-1-enyl]benzoic acid
SpectraBase Compound ID 5SM8XXdKSSQ
InChI InChI=1S/C16H12O4/c17-14-7-2-1-6-13(14)15(18)9-8-11-4-3-5-12(10-11)16(19)20/h1-10,17H,(H,19,20)/b9-8+
InChIKey GTVBOLIMAPUGAJ-CMDGGOBGSA-N
Mol Weight 268.27 g/mol
Molecular Formula C16H12O4
Exact Mass 268.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID wHAdsyY75D
Name 3-[(E)-3-(2-hydroxyphenyl)-3-keto-prop-1-enyl]benzoic acid
Alternate Name(s) 3-[(E)-3-(2-hydroxyphenyl)-3-oxidanylidene-prop-1-enyl]benzoic acid 3-[(E)-3-(2-hydroxyphenyl)-3-oxo-prop-1-enyl]benzoic acid
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Formula C16H12O4
InChI InChI=1S/C16H12O4/c17-14-7-2-1-6-13(14)15(18)9-8-11-4-3-5-12(10-11)16(19)20/h1-10,17H,(H,19,20)/b9-8+
InChIKey GTVBOLIMAPUGAJ-CMDGGOBGSA-N
Molecular Weight 268.268 g/mol
SMILES Oc1c(C(\C=C\c2cc(C(=O)O)ccc2)=O)cccc1
SPLASH splash10-014i-1890000000-08502685c237dfe0426d
Source of Spectrum K1-2003-751-0
Wiley ID 1520707