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1-hydroxy-5-methyl-2-pyrrolecarbonitrile
SpectraBase Compound ID 7E51Qb4oVIJ
InChI InChI=1S/C6H6N2O/c1-5-2-3-6(4-7)8(5)9/h2-3,9H,1H3
InChIKey KSNOGXAIKJROPM-UHFFFAOYSA-N
Mol Weight 122.13 g/mol
Molecular Formula C6H6N2O
Exact Mass 122.048013 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 96qirdthWa9
Name 1-hydroxy-5-methyl-2-pyrrolecarbonitrile
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H6N2O
InChI InChI=1S/C6H6N2O/c1-5-2-3-6(4-7)8(5)9/h2-3,9H,1H3
InChIKey KSNOGXAIKJROPM-UHFFFAOYSA-N
Molecular Weight 122.127 g/mol
SMILES O[n]1c(ccc1C)C#N
SPLASH splash10-05fr-0900000000-00957e33efe446cab548
Source of Spectrum 1-98-1484-0
Synonyms 1-hydroxy-5-methyl-pyrrole-2-carbonitrile 5-methyl-1-oxidanyl-pyrrole-2-carbonitrile
Wiley ID 1127781