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4-Azatricyclo[4.3.1.1(3,8)]undecane-3-carbonitrile, 4-acetyl-
SpectraBase Compound ID 8aCwuF2oprI
InChI InChI=1S/C13H18N2O/c1-9(16)15-7-12-3-10-2-11(4-12)6-13(15,5-10)8-14/h10-12H,2-7H2,1H3/t10-,11+,12-,13-
InChIKey BUVQTNNIZWVVEI-WNGYAQOMSA-N
Mol Weight 218.3 g/mol
Molecular Formula C13H18N2O
Exact Mass 218.141913 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7NVCSAeDp3v
Name 4-Azatricyclo[4.3.1.1(3,8)]undecane-3-carbonitrile, 4-acetyl-
Alternate Name(s) 3-Cyano-4-acetyl-4-azahomoadamantane 4-Acetyl-4-azatricyclo[4.3.1.1(3,8)]undecane-3-carbonitrile
CAS Registry Number 78823-03-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18N2O
InChI InChI=1S/C13H18N2O/c1-9(16)15-7-12-3-10-2-11(4-12)6-13(15,5-10)8-14/h10-12H,2-7H2,1H3/t10-,11+,12-,13-
InChIKey BUVQTNNIZWVVEI-WNGYAQOMSA-N
Molecular Weight 218.300 g/mol
SMILES [C@]12(N(C(=O)C)C[C@]3(C[C@](C2)(C[C@](C1)(C3)[H])[H])[H])C#N
SPLASH splash10-004i-0930000000-700de70b07a81530a8d6
Source of Spectrum J-46-4477-0
Wiley ID 1217826