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2-((1Z,3E)-1-Carboxy-4-phenylbuta-1,3-dien-1-yl)benzoic acid
SpectraBase Compound ID K5gq8VZiURo
InChI InChI=1S/C18H14O4/c19-17(20)15-11-5-4-10-14(15)16(18(21)22)12-6-9-13-7-2-1-3-8-13/h1-12H,(H,19,20)(H,21,22)/b9-6+,16-12-
InChIKey SHPSKUIEMJUDIW-FLIHGVEMSA-N
Mol Weight 294.31 g/mol
Molecular Formula C18H14O4
Exact Mass 294.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Doz3rvrVqLv
Name 2-((1Z,3E)-1-Carboxy-4-phenylbuta-1,3-dien-1-yl)benzoic acid
Appearance Pale yellow crystals
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Formula C18H14O4
InChI InChI=1S/C18H14O4/c19-17(20)15-11-5-4-10-14(15)16(18(21)22)12-6-9-13-7-2-1-3-8-13/h1-12H,(H,19,20)(H,21,22)/b9-6+,16-12-
InChIKey SHPSKUIEMJUDIW-FLIHGVEMSA-N
Instrument Name Shimadzu GC??MS
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3448
Molecular Weight 294.306 g/mol
SMILES OC(\C(c1c(C(O)=O)cccc1)=C\C=C\c1ccccc1)=O
SPLASH splash10-0fvl-9570000000-58bb5fc3b2434e4b9798
Source of Spectrum Y-56-800-3
Wiley ID 1859450