| SpectraBase Spectrum ID |
KWQuPa8tx2B |
| Name |
(4S)-4-Fluoro-4-methyl-2-phenyl-7-trifluoromethyl-4,5-dihydrobenzo[d]-1,3-oxazepine |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
323.093326694 u |
| Formula |
C17H13F4NO |
| InChI |
InChI=1S/C17H13F4NO/c1-16(18)10-12-9-13(17(19,20)21)7-8-14(12)22-15(23-16)11-5-3-2-4-6-11/h2-9H,10H2,1H3/t16-/m1/s1 |
| InChIKey |
BLQITYIQNLQFIL-MRXNPFEDSA-N |
| Instrument Name |
Finnigan MAT SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201504749 |
| Molecular Weight |
323.291 g/mol |
| Quality |
157 |
| Reported Formula |
C17H13F4NO |
| SMILES |
C1(=CC2=C(C=C1)N=C(O[C@](C2)(F)C)C1=CC=CC=C1)C(F)(F)F |
| SPLASH |
splash10-03di-1396000000-2cb7318cc8e210e0304b |
| Source of Spectrum |
QE-22-SM14-9m (DOI: 10.1002/chem.201504749) |
| Thin-Layer Chromatography |
0.44 (hexane/EtOAc, 95:5) |
| Wiley ID |
1903008 |
![(4S)-4-Fluoro-4-methyl-2-phenyl-7-trifluoromethyl-4,5-dihydrobenzo[d]-1,3-oxazepine](/api/spectrum/KWQuPa8tx2B/structure.png?h=300&w=458 "(4S)-4-Fluoro-4-methyl-2-phenyl-7-trifluoromethyl-4,5-dihydrobenzo[d]-1,3-oxazepine")
