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(E)-4-(3,6-Dimethoxy-2-nitro-phenyl)-but-2-enal
SpectraBase Compound ID HSIb5PIGSej
InChI InChI=1S/C12H13NO5/c1-17-10-6-7-11(18-2)12(13(15)16)9(10)5-3-4-8-14/h3-4,6-8H,5H2,1-2H3/b4-3+
InChIKey HHODXDRSBZNXDD-ONEGZZNKSA-N
Mol Weight 251.24 g/mol
Molecular Formula C12H13NO5
Exact Mass 251.079373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LmJpjNkffoC
Name (E)-4-(3,6-Dimethoxy-2-nitro-phenyl)-but-2-enal
Alternate Name(s) (2E)-4-(3,6-dimethoxy-2-nitrophenyl)-2-butenal 4-(2,6-Dimethoxy-2-nitrophenyl)but-2-enal 4-(3,6-Dimethoxy-2-nitrophenyl)but-2-enal
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Formula C12H13NO5
InChI InChI=1S/C12H13NO5/c1-17-10-6-7-11(18-2)12(13(15)16)9(10)5-3-4-8-14/h3-4,6-8H,5H2,1-2H3/b4-3+
InChIKey HHODXDRSBZNXDD-ONEGZZNKSA-N
Molecular Weight 251.238 g/mol
SMILES c1(N(=O)=O)c(c(OC)ccc1OC)C\C=C\C=O
SPLASH splash10-004l-9840000000-bfe540be9c54f010f3e0
Source of Spectrum H1-36-2826-4
Wiley ID 755664