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4-(Trifluoromethyl)-2-(3-(trifluoromethyl)phenyl)benzo[b]oxepine
SpectraBase Compound ID JNKfQJR29Jn
InChI InChI=1S/C18H10F6O/c19-17(20,21)13-6-3-5-12(8-13)16-10-14(18(22,23)24)9-11-4-1-2-7-15(11)25-16/h1-10H
InChIKey IUTWOBJWACSHSJ-UHFFFAOYSA-N
Mol Weight 356.27 g/mol
Molecular Formula C18H10F6O
Exact Mass 356.063584 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CS7CSFZUnXD
Name 4-(Trifluoromethyl)-2-(3-(trifluoromethyl)phenyl)benzo[b]oxepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H10F6O
InChI InChI=1S/C18H10F6O/c19-17(20,21)13-6-3-5-12(8-13)16-10-14(18(22,23)24)9-11-4-1-2-7-15(11)25-16/h1-10H
InChIKey IUTWOBJWACSHSJ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201200784
Molecular Weight 356.267 g/mol
SMILES c1ccc2c(C=C(C(F)(F)F)C=C(c3cccc(c3)C(F)(F)F)O2)c1
SPLASH splash10-0ab9-0917000000-6490ebc8648015a6ad7d
Source of Spectrum ASC-355-n/a/SM7-12
Wiley ID 1761886