| SpectraBase Spectrum ID |
HgTpUoqmRJN |
| Name |
9-(2-Bromoethyl)-5,6-dimethoxy-2,3,9,9a-tetrahydro-1H-benzo(de)quinoline-1-carbonitrile |
| CAS Registry Number |
96165-90-1 |
| Comments |
Removed - expert review: solvent contamination (chloroform)); A corrected record has been addded having SpectrumID: 1718238 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H19BrN2O2 |
| InChI |
InChI=1S/C17H19BrN2O2/c1-21-14-9-12-6-8-20(10-19)16-11(5-7-18)3-4-13(15(12)16)17(14)22-2/h3-4,9,11,16H,5-8H2,1-2H3 |
| InChIKey |
ZOQPWPFCWNZVLE-UHFFFAOYSA-N |
| Molecular Weight |
363.255 g/mol |
| SMILES |
c12c3C=CC(C1N(C#N)CCc2cc(OC)c3OC)CCBr |
| SPLASH |
splash10-0a59-6219000000-76d5cbd29664d9e5850b |
| Source of Spectrum |
C-107-3914-0 |
| Synonyms |
9-(2-bromoethyl)-1-cyano-5,6-dimethoxy-2,3,9,9a-tetrahydro-1H-benzo[de]quinoline |
| Wiley ID |
1349392 |
