| SpectraBase Spectrum ID |
B0wgs2hGmzA |
| Name |
4-Benzyl-8-chloro-2-methoxyisoquinolin-1(2H)-one |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
299.071306393 u |
| Formula |
C17H14ClNO2 |
| InChI |
InChI=1S/C17H14ClNO2/c1-21-19-11-13(10-12-6-3-2-4-7-12)14-8-5-9-15(18)16(14)17(19)20/h2-9,11H,10H2,1H3 |
| InChIKey |
BTHIHNZAKBJCHB-UHFFFAOYSA-N |
| Instrument Name |
Finnigan SSQ Finnigan 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201710776 |
| Molecular Weight |
299.757 g/mol |
| Quality |
7 |
| Reported Formula |
C17H14ClNO2 |
| SMILES |
C1(=CC=CC=C1)CC1=CN(C(C2=C1C=CC=C2Cl)=O)OC |
| SPLASH |
splash10-0ftb-0392000000-21782b11acd85b30b1a3 |
| Source of Spectrum |
ACI-56-SM52-3ma (DOI: 10.1002/anie.201710776) |
| Thin-Layer Chromatography |
0.4 (pentane/EtOAc, 2:1) |
| Wiley ID |
1896663 |
