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3-Oxocycloheptanecarbonitrile
SpectraBase Compound ID 9qL35d3srWd
InChI InChI=1S/C8H11NO/c9-6-7-3-1-2-4-8(10)5-7/h7H,1-5H2
InChIKey UOLCFSMIUFFZPF-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 1NqCCFnly4Z
Name 3-Oxocycloheptanecarbonitrile
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11NO
InChI InChI=1S/C8H11NO/c9-6-7-3-1-2-4-8(10)5-7/h7H,1-5H2
InChIKey UOLCFSMIUFFZPF-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201600287
Molecular Weight 137.182 g/mol
SMILES C1(CC(CCCC1)=O)C#N
SPLASH splash10-0a4i-9000000000-be49854b57b6d2ef0b85
Source of Spectrum ASC-358-2134/SM9-3f
Synonyms 3-Oxocycloheptane-1-carbonitrile
Wiley ID 1807439