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(4S)-4-Fluoro-4-methyl-2-(4???-methoxyphenyl)-4,5-dihydrobenzo[d]-1,3-oxazepine
SpectraBase Compound ID 6CMhCdQNLyJ
InChI InChI=1S/C17H16FNO2/c1-17(18)11-13-5-3-4-6-15(13)19-16(21-17)12-7-9-14(20-2)10-8-12/h3-10H,11H2,1-2H3/t17-/m1/s1
InChIKey NUXFYFCTTNKSAT-QGZVFWFLSA-N
Mol Weight 285.32 g/mol
Molecular Formula C17H16FNO2
Exact Mass 285.116507 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 41w9yVJagi
Name (4S)-4-Fluoro-4-methyl-2-(4???-methoxyphenyl)-4,5-dihydrobenzo[d]-1,3-oxazepine
Appearance Yellow solid
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Exact Mass 285.116506920 u
Formula C17H16FNO2
InChI InChI=1S/C17H16FNO2/c1-17(18)11-13-5-3-4-6-15(13)19-16(21-17)12-7-9-14(20-2)10-8-12/h3-10H,11H2,1-2H3/t17-/m1/s1
InChIKey NUXFYFCTTNKSAT-QGZVFWFLSA-N
Instrument Name Finnigan MAT SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201504749
Molecular Weight 285.318 g/mol
Quality 136
SMILES C1=CC2=C(C=C1)N=C(O[C@](C2)(F)C)C1=CC=C(C=C1)OC
SPLASH splash10-06dr-0190000000-2286610007125e48b258
Source of Spectrum QE-22-SM10-9c (DOI: 10.1002/chem.201504749)
Thin-Layer Chromatography 0.37 (hexane/EtOAc, 95:5)
Wiley ID 1902998