| SpectraBase Spectrum ID |
8XKLAVRESF8 |
| Name |
Ethyl 7-(4-bromophenyl)-9-azabicyclo[4.2.1]nona-2,4,7-triene-9-carboxylate |
| Appearance |
Yellowish oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H16BrNO2 |
| InChI |
InChI=1S/C17H16BrNO2/c1-2-21-17(20)19-14-5-3-4-6-16(19)15(11-14)12-7-9-13(18)10-8-12/h3-11,14,16H,2H2,1H3/t14-,16+/m0/s1 |
| InChIKey |
HHPQKMWVAOGRSN-GOEBONIOSA-N |
| Instrument Name |
Shimadzu GC??MS-QP2010 Plus |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201901837 |
| Molecular Weight |
346.224 g/mol |
| Reported Formula |
C17H16BrNO2 |
| SMILES |
[C@]12(N([C@](C=C2c2ccc(cc2)Br)(C=CC=C1)[H])C(=O)OCC)[H] |
| SPLASH |
splash10-00ke-1934000000-1629923adde6e6cce394 |
| Source of Spectrum |
U1-2020-SM9-3ak |
| Thin-Layer Chromatography |
Rf = 0.53 (petroleum ether/ethyl acetate 15:1, 10:1, 5:1) |
| Wiley ID |
1858963 |
![Ethyl 7-(4-bromophenyl)-9-azabicyclo[4.2.1]nona-2,4,7-triene-9-carboxylate](/api/spectrum/8XKLAVRESF8/structure.png?h=300&w=458 "Ethyl 7-(4-bromophenyl)-9-azabicyclo[4.2.1]nona-2,4,7-triene-9-carboxylate")
