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2-Propenoic acid, 2-cyano-3-(4-nitrophenoxy)-3-(4-nitrophenyl)-, methyl ester, (E)-
SpectraBase Compound ID Il6ui81wCyI
InChI InChI=1S/C17H11N3O7/c1-26-17(21)15(10-18)16(11-2-4-12(5-3-11)19(22)23)27-14-8-6-13(7-9-14)20(24)25/h2-9H,1H3/b16-15+
InChIKey YODHPFRXETVUCP-FOCLMDBBSA-N
Mol Weight 369.29 g/mol
Molecular Formula C17H11N3O7
Exact Mass 369.0597 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Du2ienuShZm
Name 2-Propenoic acid, 2-cyano-3-(4-nitrophenoxy)-3-(4-nitrophenyl)-, methyl ester, (E)-
CAS Registry Number 112220-60-7
Comments Less than 3 mono-isotopic peaks
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Formula C17H11N3O7
InChI InChI=1S/C17H11N3O7/c1-26-17(21)15(10-18)16(11-2-4-12(5-3-11)19(22)23)27-14-8-6-13(7-9-14)20(24)25/h2-9H,1H3/b16-15+
InChIKey YODHPFRXETVUCP-FOCLMDBBSA-N
Molecular Weight 369.289 g/mol
SMILES c1(O\C(=C\(C(=O)OC)C#N)c2ccc(N(=O)=O)cc2)ccc(N(=O)=O)cc1
SPLASH splash10-03di-0009000000-df90cf6ea8cb1f160d5c
Source of Spectrum C-110-922-0
Synonyms methyl (2E)-2-cyano-3-(4-nitrophenoxy)-3-(4-nitrophenyl)-2-propenoate Methyl(E)-.alpha.-cyano-.beta.-(p-nitrophenoxy)-p-nitrocinnamates
Wiley ID 1353548