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(4S)-5-[13C]-4-Fluoro-4-methyl-2-phenyl-4,5-dihydrobenzo[d]-1,3-oxazepine
SpectraBase Compound ID 7FEu9WoApUE
InChI InChI=1S/C16H14FNO/c1-16(17)11-13-9-5-6-10-14(13)18-15(19-16)12-7-3-2-4-8-12/h2-10H,11H2,1H3/t16-/m1/s1/i11+1
InChIKey CNPMNSSWCQDVCU-SIFZQSJYSA-N
Mol Weight 256.28 g/mol
Molecular Formula C1513CH14FNO
Exact Mass 256.109297 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EpVKmTt4jRI
Name (4S)-5-[13C]-4-Fluoro-4-methyl-2-phenyl-4,5-dihydrobenzo[d]-1,3-oxazepine
Appearance Colorless solid
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Exact Mass 256.109297072 u
Formula C15[13C]H14FNO
InChI InChI=1S/C16H14FNO/c1-16(17)11-13-9-5-6-10-14(13)18-15(19-16)12-7-3-2-4-8-12/h2-10H,11H2,1H3/t16-/m1/s1/i11+1
InChIKey CNPMNSSWCQDVCU-SIFZQSJYSA-N
Instrument Name Finnigan MAT SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201504749
Molecular Weight 256.285 g/mol
Quality 78
Reported Formula (12)C15(13)CH14FNO
SMILES [13CH2]1C2=C(N=C(O[C@]1(F)C)C1=CC=CC=C1)C=CC=C2
SPLASH splash10-0a4l-2950000000-b095fa785ba618a37deb
Source of Spectrum QE-22-SM6-[13C]-9a (DOI: 10.1002/chem.201504749)
Thin-Layer Chromatography 0.47 (hexane/EtOAc, 95:5)
Wiley ID 1903016