1-(4-Bromophenyl)-1,4-dihydroisoquinolin-3(2H)-one
5641
Reference
1-(4-Bromophenyl)-1,4-dihydroisoquinolin-3(2H)-one Structure
Systematic / IUPAC Name: 1-(4-Bromophenyl)-1,4-dihydro-3(2H)-isoquinolinone
ID: Reference5641
Other Names: 3(2H)-Isoquinolinone, 1-(4-bromophenyl)-1,4-dihydro-
Formula: C15H12BrNO
Spectral Data
1-(4-Bromophenyl)-1,4-dihydroisoquinolin-3(2H)-one mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 119 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 9/19/2016 12:00:10 PM |
Identificators
| InChI | InChI=1S/C15H12BrNO/c16-12-7-5-10(6-8-12)15-13-4-2-1-3-11(13)9-14(18)17-15/h1-8,15H,9H2,(H,17,18) |
| InChI Key | CZDHYXDVCUIOEU-UHFFFAOYSA-N |
| Canonical SMILES | C1C2=CC=CC=C2C(NC1=O)C3=CC=C(C=C3)Br |
| CAS | |
| Splash | |
| Other Names | 3(2H)-Isoquinolinone, 1-(4-bromophenyl)-1,4-dihydro- |
In Other Databases
| ChEMBL | CHEMBL1380393 |
| PubChem | 2818273 |
| ChemSpider | 2096541 |