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(E)-2-cyano-6-methoxy-1-[5-(4-trifluoromethylphenyl)-2-oxapent-4-enyl]naphthalene
SpectraBase Compound ID 44WIN7uV8du
InChI InChI=1S/C23H18F3NO2/c1-28-20-10-11-21-17(13-20)6-7-18(14-27)22(21)15-29-12-2-3-16-4-8-19(9-5-16)23(24,25)26/h2-11,13H,12,15H2,1H3/b3-2+
InChIKey DUFQMHYYKOPZHI-NSCUHMNNSA-N
Mol Weight 397.4 g/mol
Molecular Formula C23H18F3NO2
Exact Mass 397.128963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DFBou7NHCUU
Name (E)-2-cyano-6-methoxy-1-[5-(4-trifluoromethylphenyl)-2-oxapent-4-enyl]naphthalene
Appearance Pale yellow solid
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Exact Mass 397.128963311 u
Formula C23H18F3NO2
InChI InChI=1S/C23H18F3NO2/c1-28-20-10-11-21-17(13-20)6-7-18(14-27)22(21)15-29-12-2-3-16-4-8-19(9-5-16)23(24,25)26/h2-11,13H,12,15H2,1H3/b3-2+
InChIKey DUFQMHYYKOPZHI-NSCUHMNNSA-N
Instrument Name JEOL JMS-700
Ionization Type EI positive ion
Literature Reference DOI 10.1002/ejoc.202201051
Molecular Weight 397.397 g/mol
Quality 24
Reported Formula C23H18F3NO2
SMILES C=1(C(=CC=C2C=C(C=CC12)OC)C#N)COC\C=C\C=1C=CC(=CC1)C(F)(F)F
SPLASH splash10-0002-0901000000-b72b010db087925fbca9
Source of Spectrum K1-2022-10-(E)-6bf (DOI: 10.1002/ejoc.202201051)
Wiley ID 1898981