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(4R)-4-Fluoro-4-isopropyl-2-phenyl-4,5-dihydrobenzo[d]-1,3-oxazepine
SpectraBase Compound ID BfYW0vsUY5e
InChI InChI=1S/C18H18FNO/c1-13(2)18(19)12-15-10-6-7-11-16(15)20-17(21-18)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3/t18-/m0/s1
InChIKey YDPNKEZGHWNRNL-SFHVURJKSA-N
Mol Weight 283.35 g/mol
Molecular Formula C18H18FNO
Exact Mass 283.137242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4lulN7LhME1
Name (4R)-4-Fluoro-4-isopropyl-2-phenyl-4,5-dihydrobenzo[d]-1,3-oxazepine
Appearance Yellow oil
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Exact Mass 283.137242366 u
Formula C18H18FNO
InChI InChI=1S/C18H18FNO/c1-13(2)18(19)12-15-10-6-7-11-16(15)20-17(21-18)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3/t18-/m0/s1
InChIKey YDPNKEZGHWNRNL-SFHVURJKSA-N
Instrument Name Finnigan MAT SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201504749
Molecular Weight 283.346 g/mol
Quality 175
Reported Formula C18H18FNO
SMILES C1=CC2=C(C=C1)N=C(O[C@](C2)(F)C(C)C)C1=CC=CC=C1
SPLASH splash10-052f-1930000000-86df19aa1b303fe8ec82
Source of Spectrum QE-22-SM16-9q (DOI: 10.1002/chem.201504749)
Thin-Layer Chromatography 0.50 (hexane/EtOAc, 95:5)
Wiley ID 1903012