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2-Oxobicyclo[3.3.1]nonane-1-acetonitrile
SpectraBase Compound ID EwsFDcYEyNw
InChI InChI=1S/C11H15NO/c12-7-6-11-5-1-2-9(8-11)3-4-10(11)13/h9H,1-6,8H2
InChIKey AGNKLTJCBJKVRO-UHFFFAOYSA-N
Mol Weight 177.25 g/mol
Molecular Formula C11H15NO
Exact Mass 177.115364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B5p283MAika
Name 2-Oxobicyclo[3.3.1]nonane-1-acetonitrile
Alternate Name(s) 2-(2-oxobicyclo[3.3.1]nonan-1-yl)acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H15NO
InChI InChI=1S/C11H15NO/c12-7-6-11-5-1-2-9(8-11)3-4-10(11)13/h9H,1-6,8H2
InChIKey AGNKLTJCBJKVRO-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19801130526
Molecular Weight 177.247 g/mol
SMILES C12(C(CCC(CCC2)C1)=O)CC#N
SPLASH splash10-001i-5900000000-7ab56158c71cc749b011
Source of Spectrum K-113-1916-7
Wiley ID 1792725