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anti-1,1,2,2,13,13,14,14-Octafluoro[2.2]-(1,4)anthracenophane
SpectraBase Compound ID 5mxbc4tOATS
InChI InChI=1S/C32H16F8/c33-29(34)25-9-10-26(22-14-18-6-2-1-5-17(18)13-21(22)25)30(35,36)32(39,40)28-12-11-27(31(29,37)38)23-15-19-7-3-4-8-20(19)16-24(23)28/h1-16H
InChIKey ICSHFSMRBQUJHY-UHFFFAOYSA-N
Mol Weight 552.5 g/mol
Molecular Formula C32H16F8
Exact Mass 552.112426 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IdvPYq8TrgW
Name anti-1,1,2,2,13,13,14,14-Octafluoro[2.2]-(1,4)anthracenophane
Comments Less than 3 mono-isotopic peaks
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Formula C32H16F8
InChI InChI=1S/C32H16F8/c33-29(34)25-9-10-26(22-14-18-6-2-1-5-17(18)13-21(22)25)30(35,36)32(39,40)28-12-11-27(31(29,37)38)23-15-19-7-3-4-8-20(19)16-24(23)28/h1-16H
InChIKey ICSHFSMRBQUJHY-UHFFFAOYSA-N
Molecular Weight 552.467 g/mol
SMILES C1(C(c2c3c(cc4c(c3)cccc4)c(cc2)C(C(c2ccc1c1c2cc2c(c1)cccc2)(F)F)(F)F)(F)F)(F)F
SPLASH splash10-004i-0090010000-0be47356397c8f8088f2
Source of Spectrum C5-2004-2750-8
Wiley ID 1617474