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3-(2-Cyano-ethyl)-4-cyanomethyl-5-dimethylaminomethyl-1H-pyrrole-2-carboxylic acid, methyl ester
SpectraBase Compound ID BMyB78oLdhz
InChI InChI=1S/C14H18N4O2/c1-18(2)9-12-10(6-8-16)11(5-4-7-15)13(17-12)14(19)20-3/h17H,4-6,9H2,1-3H3
InChIKey NXZDTGSXTHRWSK-UHFFFAOYSA-N
Mol Weight 274.32 g/mol
Molecular Formula C14H18N4O2
Exact Mass 274.142976 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 40XzNLG8nAv
Name 3-(2-Cyano-ethyl)-4-cyanomethyl-5-dimethylaminomethyl-1H-pyrrole-2-carboxylic acid, methyl ester
Alternate Name(s) Methyl 3-(2-cyanoethyl)-4-(cyanomethyl)-5-(dimethylaminomethyl)-1H-pyrrole-2-carboxylate Methyl 3-(2-cyanoethyl)-4-(cyanomethyl)-5-[(dimethylamino)methyl]-1H-pyrrole-2-carboxylate
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Formula C14H18N4O2
InChI InChI=1S/C14H18N4O2/c1-18(2)9-12-10(6-8-16)11(5-4-7-15)13(17-12)14(19)20-3/h17H,4-6,9H2,1-3H3
InChIKey NXZDTGSXTHRWSK-UHFFFAOYSA-N
Molecular Weight 274.324 g/mol
SMILES [nH]1c(c(c(c1C(=O)OC)CCC#N)CC#N)CN(C)C
SPLASH splash10-001j-3890000000-74503ecdd850787a433b
Wiley ID 1484902