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2-[(E)-2-(1,3-benzodioxol-5-yl)-1-carboxyethenyl]benzoic acid
SpectraBase Compound ID JlwJGq6YBKw
InChI InChI=1S/C17H12O6/c18-16(19)12-4-2-1-3-11(12)13(17(20)21)7-10-5-6-14-15(8-10)23-9-22-14/h1-8H,9H2,(H,18,19)(H,20,21)/b13-7+
InChIKey JSJVIDYQFXVZIE-NTUHNPAUSA-N
Mol Weight 312.28 g/mol
Molecular Formula C17H12O6
Exact Mass 312.063388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CXxplKTjRyM
Name 2-[(E)-2-(1,3-benzodioxol-5-yl)-1-carboxyethenyl]benzoic acid
Alternate Name(s) 2-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl]benzoic acid
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Formula C17H12O6
InChI InChI=1S/C17H12O6/c18-16(19)12-4-2-1-3-11(12)13(17(20)21)7-10-5-6-14-15(8-10)23-9-22-14/h1-8H,9H2,(H,18,19)(H,20,21)/b13-7+
InChIKey JSJVIDYQFXVZIE-NTUHNPAUSA-N
Molecular Weight 312.277 g/mol
SMILES OC(c1c(\C(C(=O)O)=C\c2cc3OCOc3cc2)cccc1)=O
SPLASH splash10-0j4l-4932000000-14e5b99a3b2e1e759f21
Source of Spectrum SK-32-398-2
Wiley ID 1548988