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2-AMINO-5-BENZYL-3-CYANO-4-METHYL-PYRROLE
SpectraBase Compound ID 52ps2Gr3Cj9
InChI InChI=1S/C13H13N3/c1-9-11(8-14)13(15)16-12(9)7-10-5-3-2-4-6-10/h2-6,16H,7,15H2,1H3
InChIKey BWAUXRJLNREQCA-UHFFFAOYSA-N
Mol Weight 211.27 g/mol
Molecular Formula C13H13N3
Exact Mass 211.110947 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4FyF1NJdLgz
Name 1H-Pyrrole-3-carbonitrile, 2-amino-4-methyl-5-(phenylmethyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13N3
InChI InChI=1S/C13H13N3/c1-9-11(8-14)13(15)16-12(9)7-10-5-3-2-4-6-10/h2-6,16H,7,15H2,1H3
InChIKey BWAUXRJLNREQCA-UHFFFAOYSA-N
Molecular Weight 211.268 g/mol
SMILES [nH]1c(c(c(c1N)C#N)C)Cc1ccccc1
SPLASH splash10-01q9-6930000000-9348b6faaef285c49a08
Source of Spectrum IY-2-4870-2
Synonyms 2-Amino-5-benzyl-4-methyl-1H-pyrrole-3-carbonitrile 2-Amino-4-methyl-5-(phenylmethyl)-1H-pyrrole-3-carbonitrile
Wiley ID 1656459