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N,N-bis(cyanomethyl)-3,4-dimethoxybenzamide
SpectraBase Compound ID LNc0fbvWkU
InChI InChI=1S/C13H13N3O3/c1-18-11-4-3-10(9-12(11)19-2)13(17)16(7-5-14)8-6-15/h3-4,9H,7-8H2,1-2H3
InChIKey GZUJYYKDHAQDKU-UHFFFAOYSA-N
Mol Weight 259.26 g/mol
Molecular Formula C13H13N3O3
Exact Mass 259.095691 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6dEzpbJaI32
Name N,N-bis(Cyanomethyl)-3,4-dimethoxybenzamide
Comments Computed using HOSE algorithm
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Exact Mass 259.095691288 u
Formula C13H13N3O3
InChI InChI=1S/C13H13N3O3/c1-18-11-4-3-10(9-12(11)19-2)13(17)16(7-5-14)8-6-15/h3-4,9H,7-8H2,1-2H3
InChIKey GZUJYYKDHAQDKU-UHFFFAOYSA-N
Molecular Weight 259.265 g/mol
SMILES C(C1=CC(OC)=C(C=C1)OC)(N(CC#N)CC#N)=O