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 |
SpectraBase Spectrum ID | 6dEzpbJaI32 |
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Name | N,N-bis(Cyanomethyl)-3,4-dimethoxybenzamide |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
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 |