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1-Butyl-4-methyl-5-cyano-6-hydroxy-7-azaindoline
SpectraBase Compound ID 33FlVPUphua
InChI InChI=1S/C13H17N3O/c1-3-4-6-16-7-5-10-9(2)11(8-14)13(17)15-12(10)16/h3-7H2,1-2H3,(H,15,17)
InChIKey DTBSDAIFUWBNKE-UHFFFAOYSA-N
Mol Weight 231.3 g/mol
Molecular Formula C13H17N3O
Exact Mass 231.137162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LmqvXCASL74
Name 1-Butyl-4-methyl-5-cyano-6-hydroxy-7-azaindoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17N3O
InChI InChI=1S/C13H17N3O/c1-3-4-6-16-7-5-10-9(2)11(8-14)13(17)15-12(10)16/h3-7H2,1-2H3,(H,15,17)
InChIKey DTBSDAIFUWBNKE-UHFFFAOYSA-N
Molecular Weight 231.299 g/mol
SMILES Oc1c(c(C)c2c(n1)N(CC2)CCCC)C#N
SPLASH splash10-000i-0920000000-78f06bf2190d1ecd6096
Source of Spectrum HC-21-70-0
Synonyms 1-Butyl-6-hydroxy-4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile 1-Butyl-4-methyl-6-oxo-3,7-dihydro-2H-pyrrolo[2,3-b]pyridine-5-carbonitrile 1-Butyl-4-methyl-6-oxidanylidene-3,7-dihydro-2H-pyrrolo[2,3-b]pyridine-5-carbonitrile
Wiley ID 1232831