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Methyl 2-[N-(methoxycarbonyl)(methyloxy)(cyano)methyl]amino-4-nitrobenzoate
SpectraBase Compound ID lvvy4rRnz3
InChI InChI=1S/C13H13N3O7/c1-21-11(17)9-5-4-8(16(19)20)6-10(9)15-13(7-14,23-3)12(18)22-2/h4-6,15H,1-3H3
InChIKey RBVZHJAJQMAPJT-UHFFFAOYSA-N
Mol Weight 323.26 g/mol
Molecular Formula C13H13N3O7
Exact Mass 323.07535 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kd6bx5A7gm1
Name Methyl 2-[N-(methoxycarbonyl)(methyloxy)(cyano)methyl]amino-4-nitrobenzoate
Alternate Name(s) Methyl 2-[(1-cyano-1,2-dimethoxy-2-oxoethyl)amino]-4-nitrobenzoate
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Formula C13H13N3O7
InChI InChI=1S/C13H13N3O7/c1-21-11(17)9-5-4-8(16(19)20)6-10(9)15-13(7-14,23-3)12(18)22-2/h4-6,15H,1-3H3
InChIKey RBVZHJAJQMAPJT-UHFFFAOYSA-N
Molecular Weight 323.261 g/mol
SMILES N(c1c(C(=O)OC)ccc(N(=O)=O)c1)C(C(=O)OC)(C#N)OC
SPLASH splash10-01q9-0090000000-fe137bb6a5f09d4ab2b8
Source of Spectrum SO-0-657-5
Wiley ID 1537973