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2-Methyl-4-(trifluoromethyl)benzo[b]oxepine
SpectraBase Compound ID 2mDEIVjxGHm
InChI InChI=1S/C12H9F3O/c1-8-6-10(12(13,14)15)7-9-4-2-3-5-11(9)16-8/h2-7H,1H3
InChIKey PVNHVWMNFBPTSH-UHFFFAOYSA-N
Mol Weight 226.2 g/mol
Molecular Formula C12H9F3O
Exact Mass 226.060549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Y0vS6Buv4g
Name 2-Methyl-4-(trifluoromethyl)benzo[b]oxepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9F3O
InChI InChI=1S/C12H9F3O/c1-8-6-10(12(13,14)15)7-9-4-2-3-5-11(9)16-8/h2-7H,1H3
InChIKey PVNHVWMNFBPTSH-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201200784
Molecular Weight 226.198 g/mol
SMILES c1cc2c(OC(=CC(=C2)C(F)(F)F)C)cc1
SPLASH splash10-004i-0890000000-8c31718ae84a00c71568
Source of Spectrum ASC-355-n/a/SM10-17
Wiley ID 1761891