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1,6,11-Tris(trifluoromethoxy)-4-(4-(trifluoromethoxy)phenyl)triphenylene
SpectraBase Compound ID mReEXHNwMX
InChI InChI=1S/C28H12F12O4/c29-25(30,31)41-14-3-1-13(2-4-14)17-9-10-22(44-28(38,39)40)24-21-12-16(43-27(35,36)37)6-8-19(21)18-7-5-15(42-26(32,33)34)11-20(18)23(17)24/h1-12H
InChIKey QQAWPPGAKYIKAR-UHFFFAOYSA-N
Mol Weight 640.38 g/mol
Molecular Formula C28H12F12O4
Exact Mass 640.054397 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Ak9w7Dnayk
Name 1,6,11-Tris(trifluoromethoxy)-4-(4-(trifluoromethoxy)phenyl)triphenylene
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 640.054396818 u
Formula C28H12F12O4
InChI InChI=1S/C28H12F12O4/c29-25(30,31)41-14-3-1-13(2-4-14)17-9-10-22(44-28(38,39)40)24-21-12-16(43-27(35,36)37)6-8-19(21)18-7-5-15(42-26(32,33)34)11-20(18)23(17)24/h1-12H
InChIKey QQAWPPGAKYIKAR-UHFFFAOYSA-N
Instrument Name Agilent Technologies 5973N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201803603
Molecular Weight 640.381 g/mol
SMILES C1=CC(C2=C3C=4C=C(OC(F)(F)F)C=CC4C=4C=CC(OC(F)(F)F)=CC4C3=C(OC(F)(F)F)C=C2)=CC=C1OC(F)(F)F
SPLASH splash10-0f6x-0032927000-fb3fead39fa50cee136a
Source of Spectrum ACI-57-SM13-2f (DOI: 10.1002/anie.201803603)
Wiley ID 1893088