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3-(3-Chloro-phenyl)-cyclohex-1-enecarbonitrile
SpectraBase Compound ID FYHh64eHDwM
InChI InChI=1S/C13H12ClN/c14-13-6-2-5-12(8-13)11-4-1-3-10(7-11)9-15/h2,5-8,11H,1,3-4H2
InChIKey VHWTVTXPDOOOIT-UHFFFAOYSA-N
Mol Weight 217.7 g/mol
Molecular Formula C13H12ClN
Exact Mass 217.065827 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L2M6yK51J8F
Name 3-(3-Chloro-phenyl)-cyclohex-1-enecarbonitrile
Alternate Name(s) 3'-chloro-1,4,5,6-tetrahydro-[1,1'-biphenyl]-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12ClN
InChI InChI=1S/C13H12ClN/c14-13-6-2-5-12(8-13)11-4-1-3-10(7-11)9-15/h2,5-8,11H,1,3-4H2
InChIKey VHWTVTXPDOOOIT-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol200194y
Molecular Weight 217.699 g/mol
SMILES C1C(C#N)=CC(CC1)c1cccc(c1)Cl
SPLASH splash10-0gc0-0950000000-c216b2b272b91aeb3f1b
Source of Spectrum A1-13-1690/SMS20-8b
Wiley ID 1752944