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2-(O-tolyl)-4-(trifluoromethyl)benzo[b]oxepine
SpectraBase Compound ID CKGAU4RgUT
InChI InChI=1S/C18H13F3O/c1-12-6-2-4-8-15(12)17-11-14(18(19,20)21)10-13-7-3-5-9-16(13)22-17/h2-11H,1H3
InChIKey CKAJUHKJTJYIDE-UHFFFAOYSA-N
Mol Weight 302.3 g/mol
Molecular Formula C18H13F3O
Exact Mass 302.09185 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2g5PvghMqe
Name 2-(O-tolyl)-4-(trifluoromethyl)benzo[b]oxepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13F3O
InChI InChI=1S/C18H13F3O/c1-12-6-2-4-8-15(12)17-11-14(18(19,20)21)10-13-7-3-5-9-16(13)22-17/h2-11H,1H3
InChIKey CKAJUHKJTJYIDE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201200784
Molecular Weight 302.296 g/mol
SMILES c1ccc2c(C=C(C=C(c3c(cccc3)C)O2)C(F)(F)F)c1
SPLASH splash10-0uxr-2629000000-26db4bf73ea8a7722158
Source of Spectrum ASC-355-n/a/SM3-5
Wiley ID 1761902