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(4S)-4,8-Dimethyl-4-fluoro-2-phenyl-4,5-dihydrobenzo[d]-1,3-oxazepine
SpectraBase Compound ID Gu5meYCor3p
InChI InChI=1S/C17H16FNO/c1-12-8-9-14-11-17(2,18)20-16(19-15(14)10-12)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3/t17-/m1/s1
InChIKey MNZHAYSBJXUXPH-QGZVFWFLSA-N
Mol Weight 269.32 g/mol
Molecular Formula C17H16FNO
Exact Mass 269.121592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D2U0wTE6E5A
Name (4S)-4,8-Dimethyl-4-fluoro-2-phenyl-4,5-dihydrobenzo[d]-1,3-oxazepine
Appearance Colorless oil
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Exact Mass 269.121592301 u
Formula C17H16FNO
InChI InChI=1S/C17H16FNO/c1-12-8-9-14-11-17(2,18)20-16(19-15(14)10-12)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3/t17-/m1/s1
InChIKey MNZHAYSBJXUXPH-QGZVFWFLSA-N
Instrument Name Finnigan MAT SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201504749
Molecular Weight 269.319 g/mol
Quality 200
Reported Formula C17H16FNO
SMILES C1=CC2=C(C=C1C)N=C(O[C@](C2)(F)C)C1=CC=CC=C1
SPLASH splash10-0a6r-0090000000-907ccabc834f8017d89b
Source of Spectrum QE-22-SM11-9f (DOI: 10.1002/chem.201504749)
Thin-Layer Chromatography 0.56 (hexane/EtOAc, 95:5)
Wiley ID 1903001