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3-(1-Azepanyl)-3-oxopropanenitrile
SpectraBase Compound ID HhkGTSQIQEN
InChI InChI=1S/C9H14N2O/c10-6-5-9(12)11-7-3-1-2-4-8-11/h1-5,7-8H2
InChIKey RQFYTYZQYOWZRM-UHFFFAOYSA-N
Mol Weight 166.22 g/mol
Molecular Formula C9H14N2O
Exact Mass 166.110613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID pzUcsp1Si
Name 3-(1-Azepanyl)-3-oxopropanenitrile
Alternate Name(s) 3-(azepan-1-yl)-3-keto-propionitrile 3-(azepan-1-yl)-3-oxidanylidene-propanenitrile 3-(azepan-1-yl)-3-oxo-propanenitrile Propanenitrile, 3-(1-azepanyl)-3-oxo-
CAS Registry Number 15029-31-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14N2O
InChI InChI=1S/C9H14N2O/c10-6-5-9(12)11-7-3-1-2-4-8-11/h1-5,7-8H2
InChIKey RQFYTYZQYOWZRM-UHFFFAOYSA-N
Molecular Weight 166.224 g/mol
SMILES C(N1CCCCCC1)(CC#N)=O
SPLASH splash10-00kf-9300000000-8b1d35de1a317136b6a5
Source of Spectrum AD-0-2532-0
Wiley ID 1435568