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anti-1,1,2,2,11,11,12,12-Octafluoro[2.2]-(1,4)naphthalenophane
SpectraBase Compound ID LbeLwsPNMLo
InChI InChI=1S/C24H12F8/c25-21(26)17-9-10-18(14-6-2-1-5-13(14)17)22(27,28)24(31,32)20-12-11-19(23(21,29)30)15-7-3-4-8-16(15)20/h1-12H
InChIKey NVIAKSOKFXDBJS-UHFFFAOYSA-N
Mol Weight 452.35 g/mol
Molecular Formula C24H12F8
Exact Mass 452.081126 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HkDMlXjeP7o
Name anti-1,1,2,2,11,11,12,12-Octafluoro[2.2]-(1,4)naphthalenophane
Comments Less than 3 mono-isotopic peaks
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Formula C24H12F8
InChI InChI=1S/C24H12F8/c25-21(26)17-9-10-18(14-6-2-1-5-13(14)17)22(27,28)24(31,32)20-12-11-19(23(21,29)30)15-7-3-4-8-16(15)20/h1-12H
InChIKey NVIAKSOKFXDBJS-UHFFFAOYSA-N
Molecular Weight 452.347 g/mol
SMILES C1(C(c2c3c(cccc3)c(cc2)C(C(c2ccc1c1c2cccc1)(F)F)(F)F)(F)F)(F)F
SPLASH splash10-004i-0090100000-2c42abb465b81d9a0bdc
Source of Spectrum C5-2004-2750-7
Wiley ID 1617475