3-(2,6-Dioxocyclohexyl)propanenitrile

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Systematic / IUPAC Name: 3-(2,6-Dioxocyclohexyl)propanenitrile

ID: Reference4054

Other Names: Cyclohexanepropanenitrile, 2,6-dioxo-

Formula: C9H11NO2

Spectral Data

3-(2,6-Dioxocyclohexyl)propanenitrile mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 202
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/3/2016 11:20:03 AM
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Identificators

InChI InChI=1S/C9H11NO2/c10-6-2-3-7-8(11)4-1-5-9(7)12/h7H,1-5H2
InChI Key LQVPJLFILJGCEX-UHFFFAOYSA-N
Canonical SMILES C1CC(=O)C(C(=O)C1)CCC#N
CAS 1874857
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Other Names Cyclohexanepropanenitrile, 2,6-dioxo-

In Other Databases

ChemSpider 259188
PubChem 293640
ChemIDPlus 001874857