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(4S)-7,8-Dioxolo-4-fluoro-4-methyl-2-phenyl-4,5-dihydrobenzo[d]-1,3oxazepine
SpectraBase Compound ID I8NcXoQVkGd
InChI InChI=1S/C17H14FNO3/c1-17(18)9-12-7-14-15(21-10-20-14)8-13(12)19-16(22-17)11-5-3-2-4-6-11/h2-8H,9-10H2,1H3/t17-/m1/s1
InChIKey XHDUHTCCXYVISE-QGZVFWFLSA-N
Mol Weight 299.3 g/mol
Molecular Formula C17H14FNO3
Exact Mass 299.095771 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E6g0p3uts
Name (4S)-7,8-Dioxolo-4-fluoro-4-methyl-2-phenyl-4,5-dihydrobenzo[d]-1,3oxazepine
Appearance Colorless solid
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Exact Mass 299.095771475 u
Formula C17H14FNO3
InChI InChI=1S/C17H14FNO3/c1-17(18)9-12-7-14-15(21-10-20-14)8-13(12)19-16(22-17)11-5-3-2-4-6-11/h2-8H,9-10H2,1H3/t17-/m1/s1
InChIKey XHDUHTCCXYVISE-QGZVFWFLSA-N
Instrument Name Finnigan MAT SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201504749
Molecular Weight 299.301 g/mol
Quality 200
Reported Formula C17H14FNO3
SMILES C12=CC3=C(C=C2OCO1)N=C(O[C@](C3)(F)C)C1=CC=CC=C1
SPLASH splash10-0kds-1190000000-8053156e2d90f03f63b6
Source of Spectrum QE-22-SM12-9i (DOI: 10.1002/chem.201504749)
Thin-Layer Chromatography 0.35 (hexane/EtOAc, 95:5)
Wiley ID 1903004