| SpectraBase Spectrum ID |
9WJZGxKI1s |
| Name |
Phenyl 7-(4-bromophenyl)-9-azabicyclo[4.2.1]nona-2,4,7-triene-9-carboxylate |
| Appearance |
Yellowish needles |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H16BrNO2 |
| InChI |
InChI=1S/C21H16BrNO2/c22-16-12-10-15(11-13-16)19-14-17-6-4-5-9-20(19)23(17)21(24)25-18-7-2-1-3-8-18/h1-14,17,20H/t17-,20+/m1/s1 |
| InChIKey |
MVVPARQUUVCMLH-XLIONFOSSA-N |
| Instrument Name |
Shimadzu GC??MS-QP2010 Plus |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201901837 |
| Molecular Weight |
394.268 g/mol |
| Reported Formula |
C21H16BrNO2 |
| SMILES |
C=1([C@@]2(C=CC=C[C@](C1)(N2C(=O)Oc1ccccc1)[H])[H])c1ccc(cc1)Br |
| SPLASH |
splash10-0gdi-6955000000-e8bf107b04b4936ff9af |
| Source of Spectrum |
U1-2020-SM18-3bk |
| Thin-Layer Chromatography |
Rf = 0.54 (petroleum ether/ethyl acetate 15:1, 10:1, 5:1) |
| Wiley ID |
1858974 |
![Phenyl 7-(4-bromophenyl)-9-azabicyclo[4.2.1]nona-2,4,7-triene-9-carboxylate](/api/spectrum/9WJZGxKI1s/structure.png?h=300&w=458 "Phenyl 7-(4-bromophenyl)-9-azabicyclo[4.2.1]nona-2,4,7-triene-9-carboxylate")
