| SpectraBase Spectrum ID |
AxP5rRtWH4S |
| Name |
(4S)-4-Fluoro-4-methyl-7-nitrile-2-phenyl-4,5-dihydrobenzo[d]-1,3-oxazepine |
| Appearance |
Colorless solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
280.101191209 u |
| Formula |
C17H13FN2O |
| InChI |
InChI=1S/C17H13FN2O/c1-17(18)10-14-9-12(11-19)7-8-15(14)20-16(21-17)13-5-3-2-4-6-13/h2-9H,10H2,1H3/t17-/m1/s1 |
| InChIKey |
QDTWPNFFUQLRDM-QGZVFWFLSA-N |
| Instrument Name |
Finnigan MAT SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201504749 |
| Molecular Weight |
280.302 g/mol |
| Quality |
178 |
| Reported Formula |
C17H13FN2O |
| SMILES |
C1(=CC2=C(C=C1)N=C(O[C@](C2)(F)C)C1=CC=CC=C1)C#N |
| SPLASH |
splash10-066r-1590000000-83523f149b40f99e9aff |
| Source of Spectrum |
QE-22-SM15-9n (DOI: 10.1002/chem.201504749) |
| Thin-Layer Chromatography |
0.53 (hexane/EtOAc, 95:5) |
| Wiley ID |
1903009 |
![(4S)-4-Fluoro-4-methyl-7-nitrile-2-phenyl-4,5-dihydrobenzo[d]-1,3-oxazepine](/api/spectrum/AxP5rRtWH4S/structure.png?h=300&w=458 "(4S)-4-Fluoro-4-methyl-7-nitrile-2-phenyl-4,5-dihydrobenzo[d]-1,3-oxazepine")
