| SpectraBase Spectrum ID |
9qZ8Dvee52m |
| Name |
4-Benzyl-6-(tert-butyl)-2-methoxyisoquinolin-1(2H)-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
321.172878983 u |
| Formula |
C21H23NO2 |
| InChI |
InChI=1S/C21H23NO2/c1-21(2,3)17-10-11-18-19(13-17)16(14-22(24-4)20(18)23)12-15-8-6-5-7-9-15/h5-11,13-14H,12H2,1-4H3 |
| InChIKey |
HAQXVQOKEXXKSY-UHFFFAOYSA-N |
| Instrument Name |
Finnigan SSQ Finnigan 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201710776 |
| Molecular Weight |
321.420 g/mol |
| Reported Formula |
C12H23NO2 |
| SMILES |
C1(=CC=CC=C1)CC1=CN(C(C2=C1C=C(C=C2)C(C)(C)C)=O)OC |
| SPLASH |
splash10-00di-0059000000-69d4cc2dcb34ce640eec |
| Source of Spectrum |
ACI-56-SM28-3ba (DOI: 10.1002/anie.201710776) |
| Thin-Layer Chromatography |
0.2 (pentane/EtOAc, 5:1) |
| Wiley ID |
1896654 |
