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5-[(E)-alpha-Chlorobenzyliden]-6,6-dimethylbicyclo[2.2.2]oct-2-ene
SpectraBase Compound ID 4677wqXTcAR
InChI InChI=1S/C17H19Cl/c1-17(2)14-10-8-12(9-11-14)15(17)16(18)13-6-4-3-5-7-13/h3-8,10,12,14H,9,11H2,1-2H3/b16-15+/t12-,14+/m0/s1
InChIKey VXEGOWGGXOMUOI-HPHYPMJBSA-N
Mol Weight 258.79 g/mol
Molecular Formula C17H19Cl
Exact Mass 258.117528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cyz1TPefhaK
Name 5-[(E)-alpha-Chlorobenzyliden]-6,6-dimethylbicyclo[2.2.2]oct-2-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19Cl
InChI InChI=1S/C17H19Cl/c1-17(2)14-10-8-12(9-11-14)15(17)16(18)13-6-4-3-5-7-13/h3-8,10,12,14H,9,11H2,1-2H3/b16-15+/t12-,14+/m0/s1
InChIKey VXEGOWGGXOMUOI-HPHYPMJBSA-N
Literature Reference DOI 10.1002/cber.19821151105
Molecular Weight 258.792 g/mol
SMILES C=1[C@]2(CC[C@@](C1)(C(\C2=C\(c1ccccc1)Cl)(C)C)[H])[H]
SPLASH splash10-0693-0890000000-60ec439858b9b005496b
Source of Spectrum K-115-3524-1b
Synonyms (1S,4R,E)-6-(chloro(phenyl)methylene)-5,5-dimethylbicyclo[2.2.2]oct-2-ene
Wiley ID 1791911