| SpectraBase Spectrum ID |
FdJh2H6HDWr |
| Name |
4-Benzyl-8-chloro-4-hydroxy-2-methoxyisoquinoline-1,3(2H,4H)-dione |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.061135631 u |
| Formula |
C17H14ClNO4 |
| InChI |
InChI=1S/C17H14ClNO4/c1-23-19-15(20)14-12(8-5-9-13(14)18)17(22,16(19)21)10-11-6-3-2-4-7-11/h2-9,22H,10H2,1H3 |
| InChIKey |
KEMQJLXIMIAQLW-UHFFFAOYSA-N |
| Instrument Name |
Finnigan SSQ Finnigan 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201710776 |
| Molecular Weight |
331.755 g/mol |
| Quality |
121 |
| Reported Formula |
C17H14ClNO4 |
| SMILES |
OC1(CC2=CC=CC=C2)C(N(C(C2=C1C=CC=C2Cl)=O)OC)=O |
| SPLASH |
splash10-0006-4090000000-3ad78a14a6e77da5a007 |
| Source of Spectrum |
ACI-56-SM59-12 (DOI: 10.1002/anie.201710776) |
| Thin-Layer Chromatography |
0.4 (DCM/Et2O, 6:1) |
| Wiley ID |
1896637 |
