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1H-Pyrrole-3-carbonitrile, 2-amino-5-[(4-hydroxyphenyl)methyl]-4-methyl-
SpectraBase Compound ID EeMM7s00GiM
InChI InChI=1S/C13H13N3O/c1-8-11(7-14)13(15)16-12(8)6-9-2-4-10(17)5-3-9/h2-5,16-17H,6,15H2,1H3
InChIKey JYYPESRCNSYWKX-UHFFFAOYSA-N
Mol Weight 227.27 g/mol
Molecular Formula C13H13N3O
Exact Mass 227.105862 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2CJ3l7Gy24A
Name 1H-Pyrrole-3-carbonitrile, 2-amino-5-[(4-hydroxyphenyl)methyl]-4-methyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13N3O
InChI InChI=1S/C13H13N3O/c1-8-11(7-14)13(15)16-12(8)6-9-2-4-10(17)5-3-9/h2-5,16-17H,6,15H2,1H3
InChIKey JYYPESRCNSYWKX-UHFFFAOYSA-N
Molecular Weight 227.267 g/mol
SMILES [nH]1c(c(c(c1N)C#N)C)Cc1ccc(cc1)O
SPLASH splash10-004i-1590000000-8fcd70d25414b3035edd
Source of Spectrum IY-1-4387-3
Synonyms 2-Amino-5-[(4-hydroxyphenyl)methyl]-4-methyl-1H-pyrrole-3-carbonitrile 2-Azanyl-5-[(4-hydroxyphenyl)methyl]-4-methyl-1H-pyrrole-3-carbonitrile
Wiley ID 1651856