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2-exo-chlorobicyclo[3.3.1]non-3-ene-7-carbonitrile
SpectraBase Compound ID 7vjvRtXhycY
InChI InChI=1S/C10H12ClN/c11-10-2-1-7-3-8(6-12)5-9(10)4-7/h1-2,7-10H,3-5H2
InChIKey VTSKIZSWPBWHCK-UHFFFAOYSA-N
Mol Weight 181.67 g/mol
Molecular Formula C10H12ClN
Exact Mass 181.065827 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2CmkbPeU0Qs
Name 2-exo-chlorobicyclo[3.3.1]non-3-ene-7-carbonitrile
CAS Registry Number 69653-38-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12ClN
InChI InChI=1S/C10H12ClN/c11-10-2-1-7-3-8(6-12)5-9(10)4-7/h1-2,7-10H,3-5H2
InChIKey VTSKIZSWPBWHCK-UHFFFAOYSA-N
Molecular Weight 181.666 g/mol
SMILES C(#N)C1CC2C(Cl)C=CC(C2)C1
SPLASH splash10-000t-2900000000-1ed3e07b0d753939f7ab
Source of Spectrum J-44-2003-0
Synonyms Bicyclo[3.3.1]non-6-ene-3-carbonitrile, 8-chloro-, (3-endo,6-exo)- 6-exo-chlorobicyclo[3.3.1]non-7-ene-3-endo-carbonitrile 8-Chlorobicyclo[3.3.1]non-6-ene-3-carbonitrile
Wiley ID 1177440