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(1R,5S)-2-(3-Fluorobenzyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene
SpectraBase Compound ID C034dJ5LEq6
InChI InChI=1S/C16H19F/c1-16(2)13-7-6-12(15(16)10-13)8-11-4-3-5-14(17)9-11/h3-6,9,13,15H,7-8,10H2,1-2H3/t13-,15-/m0/s1
InChIKey MAVPAFIHFCPBNE-ZFWWWQNUSA-N
Mol Weight 230.33 g/mol
Molecular Formula C16H19F
Exact Mass 230.147079 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9xyIZt1dXn9
Name (1R,5S)-2-(3-Fluorobenzyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene
Appearance Colourless oil
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Formula C16H19F
InChI InChI=1S/C16H19F/c1-16(2)13-7-6-12(15(16)10-13)8-11-4-3-5-14(17)9-11/h3-6,9,13,15H,7-8,10H2,1-2H3/t13-,15-/m0/s1
InChIKey MAVPAFIHFCPBNE-ZFWWWQNUSA-N
Instrument Name Hewlett-Packard 6890 or 5890 Series II
Ionization Type EI
Molecular Weight 230.326 g/mol
Reported Formula C16H19F
SMILES C1[C@]2(C[C@](C2(C)C)(C(Cc2cccc(c2)F)=C1)[H])[H]
SPLASH splash10-0a4r-1900000000-7b2375e8401a3bbc6e56
Source of Spectrum EP3070083A1
Wiley ID 1850999