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1,3-Dimethoxy-5-((E)-2-nitro-vinyl)-2-(2,2,2-trifluoro-ethoxy)-benzene
SpectraBase Compound ID 8h15qxH0FPA
InChI InChI=1S/C12H12F3NO5/c1-19-9-5-8(3-4-16(17)18)6-10(20-2)11(9)21-7-12(13,14)15/h3-6H,7H2,1-2H3/b4-3+
InChIKey FERBBVBHBLOIPD-ONEGZZNKSA-N
Mol Weight 307.23 g/mol
Molecular Formula C12H12F3NO5
Exact Mass 307.066757 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CJxiWZYaE2t
Name 1,3-Dimethoxy-5-((E)-2-nitro-vinyl)-2-(2,2,2-trifluoro-ethoxy)-benzene
Comments Computed using HOSE algorithm
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Exact Mass 307.066756974 u
Formula C12H12F3NO5
InChI InChI=1S/C12H12F3NO5/c1-19-9-5-8(3-4-16(17)18)6-10(20-2)11(9)21-7-12(13,14)15/h3-6H,7H2,1-2H3/b4-3+
InChIKey FERBBVBHBLOIPD-ONEGZZNKSA-N
Molecular Weight 307.225 g/mol
SMILES C1(\C=C\N(=O)=O)=CC(OC)=C(C(=C1)OC)OCC(F)(F)F