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2-(2-ketoazepan-1-yl)acetonitrile
SpectraBase Compound ID 2rSMAAjFb5w
InChI InChI=1S/C8H12N2O/c9-5-7-10-6-3-1-2-4-8(10)11/h1-4,6-7H2
InChIKey AIPVKVYDXKSYCN-UHFFFAOYSA-N
Mol Weight 152.2 g/mol
Molecular Formula C8H12N2O
Exact Mass 152.094963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9FPfB8WpI6f
Name 2-(2-ketoazepan-1-yl)acetonitrile
CAS Registry Number 72636-70-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12N2O
InChI InChI=1S/C8H12N2O/c9-5-7-10-6-3-1-2-4-8(10)11/h1-4,6-7H2
InChIKey AIPVKVYDXKSYCN-UHFFFAOYSA-N
Molecular Weight 152.197 g/mol
SMILES C1(N(CCCCC1)CC#N)=O
SPLASH splash10-0pc0-9400000000-15b945d073a72d087ffb
Source of Spectrum H-62-1939-0
Synonyms 2-(2-oxidanylideneazepan-1-yl)ethanenitrile 2-(2-oxo-1-azepanyl)acetonitrile 2-(2-oxoazepan-1-yl)acetonitrile
Wiley ID 1148865