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2-Hydroxy-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
SpectraBase Compound ID F6bBnITGhEs
InChI InChI=1S/C9H8O5/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-4,10-12H,(H,13,14)/b8-4-
InChIKey LEVWXDHUVBDUSV-YWEYNIOJSA-N
Mol Weight 196.16 g/mol
Molecular Formula C9H8O5
Exact Mass 196.037173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GsGi4NzN2FN
Name 2-Hydroxy-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C9H8O5
InChI InChI=1S/C9H8O5/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-4,10-12H,(H,13,14)/b8-4-
InChIKey LEVWXDHUVBDUSV-YWEYNIOJSA-N
Molecular Weight 196.158 g/mol
SMILES Oc1c(cc(\C=C/(C(=O)O)O)cc1)O
SPLASH splash10-00di-0900000000-1943375d075e673bc370
Source of Spectrum SO-0-795-5
Synonyms (2Z)-3-(3,4-dihydroxyphenyl)-2-hydroxy-2-propenoic acid (Z)-3-(3,4-dihydroxyphenyl)-2-hydroxy-2-propenoic acid (Z)-3-(3,4-dihydroxyphenyl)-2-hydroxyprop-2-enoic acid (Z)-3-(3,4-dihydroxyphenyl)-2-hydroxy-prop-2-enoic acid (Z)-3-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-prop-2-enoic acid
Wiley ID 1543578