| SpectraBase Spectrum ID |
AqwkqR60TJ4 |
| Name |
(4S)-4,7-Difluoro-4-methyl-2-phenyl-4,5-dihydrobenzo[d]-1,3-oxazepine |
| Appearance |
Colorless crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
273.096520368 u |
| Formula |
C16H13F2NO |
| InChI |
InChI=1S/C16H13F2NO/c1-16(18)10-12-9-13(17)7-8-14(12)19-15(20-16)11-5-3-2-4-6-11/h2-9H,10H2,1H3/t16-/m1/s1 |
| InChIKey |
YHCQZDWMDZRGJE-MRXNPFEDSA-N |
| Instrument Name |
Finnigan MAT SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201504749 |
| Molecular Weight |
273.283 g/mol |
| Quality |
197 |
| Reported Formula |
C16H13F2NO |
| SMILES |
C1(=CC2=C(C=C1)N=C(O[C@](C2)(F)C)C1=CC=CC=C1)F |
| SPLASH |
splash10-0006-0090000000-8c37fa2820ee535eb395 |
| Source of Spectrum |
QE-22-SM13-9j (DOI: 10.1002/chem.201504749) |
| Thin-Layer Chromatography |
0.50 (hexane/EtOAc, 95:5) |
| Wiley ID |
1903005 |
![(4S)-4,7-Difluoro-4-methyl-2-phenyl-4,5-dihydrobenzo[d]-1,3-oxazepine](/api/spectrum/AqwkqR60TJ4/structure.png?h=300&w=458 "(4S)-4,7-Difluoro-4-methyl-2-phenyl-4,5-dihydrobenzo[d]-1,3-oxazepine")
