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(Z)-2-acetamido-3-(1,3-benzodioxol-5-yl)-2-propenoic acid
SpectraBase Compound ID 6tMhyIVK4tD
InChI InChI=1S/C12H11NO5/c1-7(14)13-9(12(15)16)4-8-2-3-10-11(5-8)18-6-17-10/h2-5H,6H2,1H3,(H,13,14)(H,15,16)/b9-4-
InChIKey QTNHDDAPMUJZSZ-WTKPLQERSA-N
Mol Weight 249.22 g/mol
Molecular Formula C12H11NO5
Exact Mass 249.063722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FEzcJ3abx8K
Name (Z)-2-acetamido-3-(1,3-benzodioxol-5-yl)-2-propenoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C12H11NO5
InChI InChI=1S/C12H11NO5/c1-7(14)13-9(12(15)16)4-8-2-3-10-11(5-8)18-6-17-10/h2-5H,6H2,1H3,(H,13,14)(H,15,16)/b9-4-
InChIKey QTNHDDAPMUJZSZ-WTKPLQERSA-N
Molecular Weight 249.222 g/mol
SMILES OC(\C(=C\c1cc2OCOc2cc1)NC(=O)C)=O
SPLASH splash10-0a4i-0090000000-1eb8f95a508121c09996
Source of Spectrum SO-0-795-4
Synonyms (Z)-2-acetamido-3-(1,3-benzodioxol-5-yl)acrylic acid (Z)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoic acid
Wiley ID 1543439