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4-(2-Cyanoethyl)-3-cyanomethyl-1H-pyrrole-2-carboxylic acid, methyl ester
SpectraBase Compound ID I2eXNehIJk2
InChI InChI=1S/C11H11N3O2/c1-16-11(15)10-9(4-6-13)8(7-14-10)3-2-5-12/h7,14H,2-4H2,1H3
InChIKey BELKKRHSSOGJJV-UHFFFAOYSA-N
Mol Weight 217.23 g/mol
Molecular Formula C11H11N3O2
Exact Mass 217.085127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ckV4DtYik6
Name 4-(2-Cyanoethyl)-3-cyanomethyl-1H-pyrrole-2-carboxylic acid, methyl ester
CAS Registry Number 106491-32-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11N3O2
InChI InChI=1S/C11H11N3O2/c1-16-11(15)10-9(4-6-13)8(7-14-10)3-2-5-12/h7,14H,2-4H2,1H3
InChIKey BELKKRHSSOGJJV-UHFFFAOYSA-N
Molecular Weight 217.228 g/mol
SMILES [nH]1c(c(c(c1)CCC#N)CC#N)C(=O)OC
SPLASH splash10-002b-3900000000-bd8cceb623d611d4b0cf
Synonyms Methyl 4-(2-cyanoethyl)-3-(cyanomethyl)-1H-pyrrole-2-carboxylate
Wiley ID 1484869