| SpectraBase Spectrum ID |
LvUIIlSXsrw |
| Name |
4-Benzyl-3-hydroxy-8-iodo-2-methoxy-3,4-dihydroisoquinolin-1(2H)-one |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
409.017488376 u |
| Formula |
C17H16INO3 |
| InChI |
InChI=1S/C17H16INO3/c1-22-19-16(20)13(10-11-6-3-2-4-7-11)12-8-5-9-14(18)15(12)17(19)21/h2-9,13,16,20H,10H2,1H3 |
| InChIKey |
JQUFJQAUKWQGSB-UHFFFAOYSA-N |
| Instrument Name |
Finnigan SSQ Finnigan 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201710776 |
| Molecular Weight |
409.223 g/mol |
| Quality |
178 |
| Reported Formula |
C17H16INO3 |
| SMILES |
OC1N(C(C2=C(C1CC1=CC=CC=C1)C=CC=C2I)=O)OC |
| SPLASH |
splash10-0aru-3219500000-086bd1daf1a1c341e3d8 |
| Sample Comments |
dr = 8:1 |
| Source of Spectrum |
ACI-56-SM40-4la (DOI: 10.1002/anie.201710776) |
| Thin-Layer Chromatography |
0.4 (pentane/EtOAc, 2:1) |
| Wiley ID |
1896672 |
