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4-Cyanomethyl-2-formylpyrrole-1-carboxylic acid, t-butyl ester
SpectraBase Compound ID 3BfPuUGKpja
InChI InChI=1S/C12H14N2O3/c1-12(2,3)17-11(16)14-7-9(4-5-13)6-10(14)8-15/h6-8H,4H2,1-3H3
InChIKey QSTADHBBXGNEDR-UHFFFAOYSA-N
Mol Weight 234.25 g/mol
Molecular Formula C12H14N2O3
Exact Mass 234.100442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FVGXPIuXxBj
Name 4-Cyanomethyl-2-formylpyrrole-1-carboxylic acid, t-butyl ester
Alternate Name(s) 4-(cyanomethyl)-2-formyl-1-pyrrolecarboxylic acid tert-butyl ester 4-(cyanomethyl)-2-formyl-pyrrole-1-carboxylic acid tert-butyl ester tert-Butyl 4-(cyanomethyl)-2-formyl-1H-pyrrole-1-carboxylate tert-Butyl 4-(cyanomethyl)-2-formyl-pyrrole-1-carboxylate tert-Butyl 4-(cyanomethyl)-2-methanoyl-pyrrole-1-carboxylate
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Formula C12H14N2O3
InChI InChI=1S/C12H14N2O3/c1-12(2,3)17-11(16)14-7-9(4-5-13)6-10(14)8-15/h6-8H,4H2,1-3H3
InChIKey QSTADHBBXGNEDR-UHFFFAOYSA-N
Molecular Weight 234.255 g/mol
SMILES CC(OC([n]1c(cc(c1)CC#N)C=O)=O)(C)C
SPLASH splash10-0a4i-9300000000-91fbcdc5beae40fbcb3a
Wiley ID 1486893