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2-(4-Chlorophenyl)-4-(trifluoromethyl)benzo[b]oxepine
SpectraBase Compound ID 8PtX6Mdcy3G
InChI InChI=1S/C17H10ClF3O/c18-14-7-5-11(6-8-14)16-10-13(17(19,20)21)9-12-3-1-2-4-15(12)22-16/h1-10H
InChIKey DISWSUZRIRXYHH-UHFFFAOYSA-N
Mol Weight 322.71 g/mol
Molecular Formula C17H10ClF3O
Exact Mass 322.037227 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1MNhSVDmSk3
Name 2-(4-Chlorophenyl)-4-(trifluoromethyl)benzo[b]oxepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H10ClF3O
InChI InChI=1S/C17H10ClF3O/c18-14-7-5-11(6-8-14)16-10-13(17(19,20)21)9-12-3-1-2-4-15(12)22-16/h1-10H
InChIKey DISWSUZRIRXYHH-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201200784
Molecular Weight 322.714 g/mol
SMILES c1ccc2c(C=C(C=C(c3ccc(cc3)Cl)O2)C(F)(F)F)c1
SPLASH splash10-00dr-0908000000-14e062c98216d308ea94
Source of Spectrum ASC-355-n/a/SM6-10
Synonyms 2-(4-Chlorophenyl)-4-(trifluoromethyl)-1-benzoxepine
Wiley ID 1761884