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(4S)-4-Fluoro-4-ethyl-2-phenyl-4,5-dihydrobenzo[d]-1,3-oxazepine
SpectraBase Compound ID 5jwmSsLGnEr
InChI InChI=1S/C17H16FNO/c1-2-17(18)12-14-10-6-7-11-15(14)19-16(20-17)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3/t17-/m1/s1
InChIKey NUUGMDPANOZULH-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 IIV6uKpXlB8
Name (4S)-4-Fluoro-4-ethyl-2-phenyl-4,5-dihydrobenzo[d]-1,3-oxazepine
Appearance Yellow oil
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Exact Mass 269.121592301 u
Formula C17H16FNO
InChI InChI=1S/C17H16FNO/c1-2-17(18)12-14-10-6-7-11-15(14)19-16(20-17)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3/t17-/m1/s1
InChIKey NUUGMDPANOZULH-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 186
Reported Formula C17H16FNO
SMILES C1=CC2=C(C=C1)N=C(O[C@](C2)(F)CC)C1=CC=CC=C1
SPLASH splash10-052f-2950000000-7debfd17244bd388c334
Source of Spectrum QE-22-SM16-9p (DOI: 10.1002/chem.201504749)
Thin-Layer Chromatography 0.72 (hexane/EtOAc, 95:5)
Wiley ID 1903011