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1-{trans-1-[(E)-3,4-Difluoro-3-butenyl]cyclohexyl}-trans-4-(pentyl)cyclohexane
SpectraBase Compound ID 1Y6jdfApVUh
InChI InChI=1S/C21H36F2/c1-2-3-5-8-18-9-11-19(12-10-18)21(14-6-4-7-15-21)16-13-20(23)17-22/h17-19H,2-16H2,1H3/b20-17+/t18-,19-
InChIKey DMDKBYXSHJDWFR-HUNCPKJUSA-N
Mol Weight 326.5 g/mol
Molecular Formula C21H36F2
Exact Mass 326.278507 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1oSlSxwvOi
Name 1-{trans-1-[(E)-3,4-Difluoro-3-butenyl]cyclohexyl}-trans-4-(pentyl)cyclohexane
Alternate Name(s) 1-[(3E)-3,4-difluorobut-3-en-1-yl]-1-(4-pentylcyclohexyl)cyclohexane
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Formula C21H36F2
InChI InChI=1S/C21H36F2/c1-2-3-5-8-18-9-11-19(12-10-18)21(14-6-4-7-15-21)16-13-20(23)17-22/h17-19H,2-16H2,1H3/b20-17+/t18-,19-
InChIKey DMDKBYXSHJDWFR-HUNCPKJUSA-N
Molecular Weight 326.516 g/mol
SMILES C1([C@]2(CC[C@@](CC2)(CCCCC)[H])[H])(CC\C(=C/F)F)CCCCC1
SPLASH splash10-00ls-9100000000-47c7f066dc4eb7522c88
Source of Spectrum AJ-73-1642-6
Wiley ID 775390