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1H-Pyrrole-3-carbonitrile, 2-amino-4,5-dimethyl-1-(3-pyridinylmethyl)-
SpectraBase Compound ID 1GnkxulUppL
InChI InChI=1S/C13H14N4/c1-9-10(2)17(13(15)12(9)6-14)8-11-4-3-5-16-7-11/h3-5,7H,8,15H2,1-2H3
InChIKey KVMIFAFNOJYAQA-UHFFFAOYSA-N
Mol Weight 226.28 g/mol
Molecular Formula C13H14N4
Exact Mass 226.121846 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2btL7Gvp8i
Name 1H-Pyrrole-3-carbonitrile, 2-amino-4,5-dimethyl-1-(3-pyridinylmethyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N4
InChI InChI=1S/C13H14N4/c1-9-10(2)17(13(15)12(9)6-14)8-11-4-3-5-16-7-11/h3-5,7H,8,15H2,1-2H3
InChIKey KVMIFAFNOJYAQA-UHFFFAOYSA-N
Molecular Weight 226.283 g/mol
SMILES Nc1[n](c(c(c1C#N)C)C)Cc1cnccc1
SPLASH splash10-000x-9310000000-7edc0ad6adc7717536a0
Source of Spectrum IY-2-4870-1
Synonyms 2-Amino-4,5-dimethyl-1-(pyridin-3-ylmethyl)-1H-pyrrole-3-carbonitrile 2-Amino-4,5-dimethyl-1-(3-pyridinylmethyl)-3-pyrrolecarbonitrile 2-Amino-4,5-dimethyl-1-(pyridin-3-ylmethyl)pyrrole-3-carbonitrile 2-Azanyl-4,5-dimethyl-1-(pyridin-3-ylmethyl)pyrrole-3-carbonitrile
Wiley ID 1656458