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4-(4-(Trifluoromethyl)benzo[b]oxepin-2-yl)benzonitrile
SpectraBase Compound ID 9oNg4YRgXZd
InChI InChI=1S/C18H10F3NO/c19-18(20,21)15-9-14-3-1-2-4-16(14)23-17(10-15)13-7-5-12(11-22)6-8-13/h1-10H
InChIKey ZCAMDKIPJKENDY-UHFFFAOYSA-N
Mol Weight 313.28 g/mol
Molecular Formula C18H10F3NO
Exact Mass 313.071448 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GcZxC7SdECK
Name 4-(4-(Trifluoromethyl)benzo[b]oxepin-2-yl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H10F3NO
InChI InChI=1S/C18H10F3NO/c19-18(20,21)15-9-14-3-1-2-4-16(14)23-17(10-15)13-7-5-12(11-22)6-8-13/h1-10H
InChIKey ZCAMDKIPJKENDY-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201200784
Molecular Weight 313.279 g/mol
SMILES c1ccc2c(C=C(C(F)(F)F)C=C(c3ccc(cc3)C#N)O2)c1
SPLASH splash10-03e9-0916000000-9c54bcc801a91469db3c
Source of Spectrum ASC-355-n/a/SM8-14
Wiley ID 1761888