| SpectraBase Spectrum ID |
57tEKjkxHM |
| Name |
4-Benzyl-6-bromo-2-methoxyisoquinolin-1(2H)-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
343.020791693 u |
| Formula |
C17H14BrNO2 |
| InChI |
InChI=1S/C17H14BrNO2/c1-21-19-11-13(9-12-5-3-2-4-6-12)16-10-14(18)7-8-15(16)17(19)20/h2-8,10-11H,9H2,1H3 |
| InChIKey |
BRGFNAQIEVSYLW-UHFFFAOYSA-N |
| Instrument Name |
Finnigan SSQ Finnigan 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201710776 |
| Molecular Weight |
344.208 g/mol |
| Quality |
187 |
| Reported Formula |
C17H14Br(79)NO2 |
| SMILES |
C1(=CC=CC=C1)CC1=CN(C(C2=C1C=C(C=C2)Br)=O)OC |
| SPLASH |
splash10-0007-0109000000-116950b0d25ed7a1507a |
| Source of Spectrum |
ACI-56-SM31-3fa (DOI: 10.1002/anie.201710776) |
| Thin-Layer Chromatography |
0.3 (pentane/EtOAc, 2:1) |
| Wiley ID |
1896658 |
