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2-(4-Iodophenyl)-4-(trifluoromethyl)benzo[b]oxepine
SpectraBase Compound ID 9t7M2RbAU84
InChI InChI=1S/C17H10F3IO/c18-17(19,20)13-9-12-3-1-2-4-15(12)22-16(10-13)11-5-7-14(21)8-6-11/h1-10H
InChIKey DMPBQTOQBNUOGA-UHFFFAOYSA-N
Mol Weight 414.17 g/mol
Molecular Formula C17H10F3IO
Exact Mass 413.972844 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C2uQqVPf1Gc
Name 2-(4-Iodophenyl)-4-(trifluoromethyl)benzo[b]oxepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H10F3IO
InChI InChI=1S/C17H10F3IO/c18-17(19,20)13-9-12-3-1-2-4-15(12)22-16(10-13)11-5-7-14(21)8-6-11/h1-10H
InChIKey DMPBQTOQBNUOGA-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201200784
Molecular Weight 414.166 g/mol
SMILES c1ccc2c(C=C(C=C(c3ccc(cc3)I)O2)C(F)(F)F)c1
SPLASH splash10-03e9-1230900000-89688ed9b619691ef9af
Source of Spectrum ASC-355-n/a/SM4-8
Wiley ID 1761905