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Cyclohexanecarbonitrile, 1-(3-oxobutyl)-
SpectraBase Compound ID EuCWVp8bpO4
InChI InChI=1S/C11H17NO/c1-10(13)5-8-11(9-12)6-3-2-4-7-11/h2-8H2,1H3
InChIKey QBWFZHZWVMWYOJ-UHFFFAOYSA-N
Mol Weight 179.26 g/mol
Molecular Formula C11H17NO
Exact Mass 179.131014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9sqTXiYq1Cj
Name Cyclohexanecarbonitrile, 1-(3-oxobutyl)-
CAS Registry Number 58422-83-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17NO
InChI InChI=1S/C11H17NO/c1-10(13)5-8-11(9-12)6-3-2-4-7-11/h2-8H2,1H3
InChIKey QBWFZHZWVMWYOJ-UHFFFAOYSA-N
Molecular Weight 179.263 g/mol
SMILES C(#N)C1(CCC(=O)C)CCCCC1
SPLASH splash10-0a4l-3900000000-47a9ab6d8d377336fbfc
Source of Spectrum C-99-1540-0
Synonyms 1-(3-Oxobutyl)cyclohexanecarbonitrile 1-(3-oxobutyl)-1-cyclohexanecarbonitrile 1-(3-oxobutyl)cyclohexane-1-carbonitrile 1-(3-oxidanylidenebutyl)cyclohexane-1-carbonitrile
Wiley ID 1175390