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2,2'-Bis(trifluoromethyl)bianthronyl

View entire compound with spectra: 1 MS (GC)

2,2'-Bis(trifluoromethyl)bianthronyl
SpectraBase Compound ID 5PkFtFD23gy
InChI InChI=1S/C30H16F6O2/c31-29(32,33)15-9-11-21-23(13-15)25(17-5-1-3-7-19(17)27(21)37)26-18-6-2-4-8-20(18)28(38)22-12-10-16(14-24(22)26)30(34,35)36/h1-14,25-26H
InChIKey ININMHJAGVIGSB-UHFFFAOYSA-N
Mol Weight 522.45 g/mol
Molecular Formula C30H16F6O2
Exact Mass 522.105449 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3qu09ZBNWtN
Name 2,2'-Bis(trifluoromethyl)bianthronyl
Alternate Name(s) 10-[10-oxo-2-(trifluoromethyl)-9,10-dihydroanthracen-9-yl]-3-(trifluoromethyl)-9,10-dihydroanthracen-9-one
CAS Registry Number 69653-17-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H16F6O2
InChI InChI=1S/C30H16F6O2/c31-29(32,33)15-9-11-21-23(13-15)25(17-5-1-3-7-19(17)27(21)37)26-18-6-2-4-8-20(18)28(38)22-12-10-16(14-24(22)26)30(34,35)36/h1-14,25-26H
InChIKey ININMHJAGVIGSB-UHFFFAOYSA-N
Molecular Weight 522.446 g/mol
SMILES C1(C2c3c(ccc(C(F)(F)F)c3)C(c3c2cccc3)=O)c2c(ccc(C(F)(F)F)c2)C(c2c1cccc2)=O
SPLASH splash10-001i-0090000000-6ad8ccecaa10f51c958a
Source of Spectrum J-44-1947-0
Wiley ID 1402282