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3-Ethyl-2-methyl-4-(trifluoromethyl)benzo[b]oxepine
SpectraBase Compound ID JDkHXlJOlDd
InChI InChI=1S/C14H13F3O/c1-3-11-9(2)18-13-7-5-4-6-10(13)8-12(11)14(15,16)17/h4-8H,3H2,1-2H3
InChIKey CQTJGWDISIBXFZ-UHFFFAOYSA-N
Mol Weight 254.25 g/mol
Molecular Formula C14H13F3O
Exact Mass 254.09185 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2xE8iJ4C7lU
Name 3-Ethyl-2-methyl-4-(trifluoromethyl)benzo[b]oxepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13F3O
InChI InChI=1S/C14H13F3O/c1-3-11-9(2)18-13-7-5-4-6-10(13)8-12(11)14(15,16)17/h4-8H,3H2,1-2H3
InChIKey CQTJGWDISIBXFZ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201200784
Molecular Weight 254.252 g/mol
SMILES c1cc2c(cc1)OC(=C(C(=C2)C(F)(F)F)CC)C
SPLASH splash10-0zgi-2690000000-2c4ecdf5845afd9ff30b
Source of Spectrum ASC-355-n/a/SM10-18
Wiley ID 1761892