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(E)-3-(4,5-dihydroxy-2-nitro-phenyl)acrylic acid methyl ester
SpectraBase Compound ID 76F74drKAzc
InChI InChI=1S/C10H9NO6/c1-17-10(14)3-2-6-4-8(12)9(13)5-7(6)11(15)16/h2-5,12-13H,1H3/b3-2+
InChIKey JZOXXMGGAKNWJW-NSCUHMNNSA-N
Mol Weight 239.18 g/mol
Molecular Formula C10H9NO6
Exact Mass 239.042987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HgG0FuLRIet
Name (E)-3-(4,5-dihydroxy-2-nitro-phenyl)acrylic acid methyl ester
Alternate Name(s) (E)-3-(4,5-dihydroxy-2-nitrophenyl)-2-propenoic acid methyl ester Methyl (E)-3-(4,5-dihydroxy-2-nitro-phenyl)prop-2-enoate Methyl (E)-3-[2-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enoate
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Formula C10H9NO6
InChI InChI=1S/C10H9NO6/c1-17-10(14)3-2-6-4-8(12)9(13)5-7(6)11(15)16/h2-5,12-13H,1H3/b3-2+
InChIKey JZOXXMGGAKNWJW-NSCUHMNNSA-N
Molecular Weight 239.183 g/mol
SMILES Oc1cc(c(cc1O)\C=C\C(=O)OC)N(=O)=O
SPLASH splash10-0fb9-9580000000-bb58502b8b8e87153e86
Source of Spectrum AT-42-3305-10
Wiley ID 855135