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2-Chloro-2-cyano-1-methyl-4-(methylethyl)-bicyclo[2.2.2]oct-5-ene
SpectraBase Compound ID 92FTJPS5e03
InChI InChI=1S/C13H18ClN/c1-10(2)12-6-4-11(3,5-7-12)13(14,8-12)9-15/h4,6,10H,5,7-8H2,1-3H3/t11-,12-,13+/m1/s1
InChIKey KSGWTDBNQWAOAT-UPJWGTAASA-N
Mol Weight 223.75 g/mol
Molecular Formula C13H18ClN
Exact Mass 223.112777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jarnsk13PsB
Name 2-Chloro-2-cyano-1-methyl-4-(methylethyl)-bicyclo[2.2.2]oct-5-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18ClN
InChI InChI=1S/C13H18ClN/c1-10(2)12-6-4-11(3,5-7-12)13(14,8-12)9-15/h4,6,10H,5,7-8H2,1-3H3/t11-,12-,13+/m1/s1
InChIKey KSGWTDBNQWAOAT-UPJWGTAASA-N
Literature Reference DOI 10.1002/ffj.2730080603
Molecular Weight 223.747 g/mol
SMILES C1[C@]2(C[C@]([C@@](C1)(C=C2)C)(Cl)C#N)C(C)C
SPLASH splash10-007c-3900000000-c2cc512523c2bbf2b652
Source of Spectrum FF-8-299-6
Synonyms (1R,2S,4R)-2-chloro-4-isopropyl-1-methylbicyclo[2.2.2]oct-5-ene-2-carbonitrile
Wiley ID 1801278