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Cyclohexaneacetonitrile, 2-oxo-
SpectraBase Compound ID CeBRXe9W7JP
InChI InChI=1S/C8H11NO/c9-6-5-7-3-1-2-4-8(7)10/h7H,1-5H2
InChIKey NDKUZEVDMZDUGK-UHFFFAOYSA-N
Mol Weight 137.18 g/mol
Molecular Formula C8H11NO
Exact Mass 137.084064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JbpJXiOjaBp
Name Cyclohexaneacetonitrile, 2-oxo-
Alternate Name(s) (2-Oxocyclohexyl)acetonitrile 2-(2-Ketocyclohexyl)acetonitrile 2-(2-Oxidanylidenecyclohexyl)ethanenitrile 2-(2-Oxocyclohexyl)acetonitrile 2-(Cyanomethyl)cyclohexanone
CAS Registry Number 42185-27-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11NO
InChI InChI=1S/C8H11NO/c9-6-5-7-3-1-2-4-8(7)10/h7H,1-5H2
InChIKey NDKUZEVDMZDUGK-UHFFFAOYSA-N
Molecular Weight 137.182 g/mol
SMILES C(CC1C(=O)CCCC1)#N
SPLASH splash10-0a6u-9000000000-5079dbe6e52d9b5e059d
Source of Spectrum EP-2753-0-0
Wiley ID 1137340