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4-Octyl-2,6-dioxobicyclo[3.2.1]octane-1-carbonitrile
SpectraBase Compound ID 7q9SfKOIq7i
InChI InChI=1S/C17H25NO2/c1-2-3-4-5-6-7-8-13-9-16(20)17(12-18)10-14(13)15(19)11-17/h13-14H,2-11H2,1H3
InChIKey NBACMTJRHOVNPK-UHFFFAOYSA-N
Mol Weight 275.39 g/mol
Molecular Formula C17H25NO2
Exact Mass 275.188529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9fv6WMxGrO
Name 4-Octyl-2,6-dioxobicyclo[3.2.1]octane-1-carbonitrile
CAS Registry Number 130472-34-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25NO2
InChI InChI=1S/C17H25NO2/c1-2-3-4-5-6-7-8-13-9-16(20)17(12-18)10-14(13)15(19)11-17/h13-14H,2-11H2,1H3
InChIKey NBACMTJRHOVNPK-UHFFFAOYSA-N
Molecular Weight 275.392 g/mol
SMILES C12(CC(C(C2)=O)C(CC1=O)CCCCCCCC)C#N
SPLASH splash10-014i-0910000000-eff176bcc40184f1eaeb
Source of Spectrum KC-1990-1397-13
Wiley ID 1279271