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2-(4-Methoxyphenyl)-4-(trifluoromethyl)benzo[b]oxepine
SpectraBase Compound ID FqlqId8biXA
InChI InChI=1S/C18H13F3O2/c1-22-15-8-6-12(7-9-15)17-11-14(18(19,20)21)10-13-4-2-3-5-16(13)23-17/h2-11H,1H3
InChIKey LSAHSGCUKQHXMG-UHFFFAOYSA-N
Mol Weight 318.3 g/mol
Molecular Formula C18H13F3O2
Exact Mass 318.086764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KOvHOy6pxG6
Name 2-(4-Methoxyphenyl)-4-(trifluoromethyl)benzo[b]oxepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13F3O2
InChI InChI=1S/C18H13F3O2/c1-22-15-8-6-12(7-9-15)17-11-14(18(19,20)21)10-13-4-2-3-5-16(13)23-17/h2-11H,1H3
InChIKey LSAHSGCUKQHXMG-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201200784
Molecular Weight 318.295 g/mol
SMILES c1ccc2c(C=C(C(F)(F)F)C=C(c3ccc(cc3)OC)O2)c1
SPLASH splash10-00kr-0906000000-523fa1faae316e2b9f40
Source of Spectrum ASC-355-n/a/SM3-6
Wiley ID 1761903