| SpectraBase Spectrum ID |
5BnjC4eR9wz |
| Name |
4-Benzyl-6-bromo-2-methoxy-8-methylisoquinolin-1(2H)-one |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
357.036441757 u |
| Formula |
C18H16BrNO2 |
| InChI |
InChI=1S/C18H16BrNO2/c1-12-8-15(19)10-16-14(9-13-6-4-3-5-7-13)11-20(22-2)18(21)17(12)16/h3-8,10-11H,9H2,1-2H3 |
| InChIKey |
VAYUTNVIWIVFNV-UHFFFAOYSA-N |
| Instrument Name |
Finnigan SSQ Finnigan 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201710776 |
| Molecular Weight |
358.235 g/mol |
| Quality |
285 |
| Reported Formula |
C18H16Br(79)NO2 |
| SMILES |
C1(=CC=CC=C1)CC1=CN(C(C2=C1C=C(C=C2C)Br)=O)OC |
| SPLASH |
splash10-056r-0209000000-9d181faa37aeaef90d82 |
| Source of Spectrum |
ACI-56-SM45-3ta (DOI: 10.1002/anie.201710776) |
| Thin-Layer Chromatography |
0.6 (pentane/EtOAc, 2:1) |
| Wiley ID |
1896665 |
