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(+)-3-(3,5-ditrifluoromethylphenyl)-dicyclopentadiene
SpectraBase Compound ID 6WLHM9S6L7d
InChI InChI=1S/C18H14F6/c19-17(20,21)12-6-11(7-13(8-12)18(22,23)24)15-4-3-14-9-1-2-10(5-9)16(14)15/h1-2,4,6-10,14,16H,3,5H2/t9-,10+,14-,16+/m1/s1
InChIKey XRVFQRRMRYKWQY-LCFNMQHZSA-N
Mol Weight 344.3 g/mol
Molecular Formula C18H14F6
Exact Mass 344.099969 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FAHxWb1TXsE
Name (+)-3-(3,5-ditrifluoromethylphenyl)-dicyclopentadiene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14F6
InChI InChI=1S/C18H14F6/c19-17(20,21)12-6-11(7-13(8-12)18(22,23)24)15-4-3-14-9-1-2-10(5-9)16(14)15/h1-2,4,6-10,14,16H,3,5H2/t9-,10+,14-,16+/m1/s1
InChIKey XRVFQRRMRYKWQY-LCFNMQHZSA-N
Literature Reference DOI 10.1021/ol101531r
Molecular Weight 344.300 g/mol
SMILES C1=C[C@@]2([H])[C@]3(CC=C([C@]3([C@]1([H])C2)[H])c1cc(cc(c1)C(F)(F)F)C(F)(F)F)[H]
SPLASH splash10-004i-1090000000-2f97a628a275db943645
Source of Spectrum A1-12-3820/SMS4-13c
Synonyms (3aS,4R,7S,7aR)-3-(3,5-bis(trifluoromethyl)phenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoindene
Wiley ID 1752464