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2-(4-Nitrophenyl)-4-(trifluoromethyl)benzo[b]oxepine
SpectraBase Compound ID McRFVoJ8sk
InChI InChI=1S/C17H10F3NO3/c18-17(19,20)13-9-12-3-1-2-4-15(12)24-16(10-13)11-5-7-14(8-6-11)21(22)23/h1-10H
InChIKey DMYHJUJXBFMLDW-UHFFFAOYSA-N
Mol Weight 333.27 g/mol
Molecular Formula C17H10F3NO3
Exact Mass 333.061278 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9fE28UV0MtB
Name 2-(4-Nitrophenyl)-4-(trifluoromethyl)benzo[b]oxepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H10F3NO3
InChI InChI=1S/C17H10F3NO3/c18-17(19,20)13-9-12-3-1-2-4-15(12)24-16(10-13)11-5-7-14(8-6-11)21(22)23/h1-10H
InChIKey DMYHJUJXBFMLDW-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201200784
Molecular Weight 333.266 g/mol
SMILES c1ccc2c(C=C(C(F)(F)F)C=C(c3ccc(cc3)[N+](=O)[O-])O2)c1
SPLASH splash10-001i-0519000000-c37df8f48d4acebbaab9
Source of Spectrum ASC-355-n/a/SM7-13
Wiley ID 1761887