| SpectraBase Spectrum ID |
4ly7qcZILpp |
| Name |
4-(4-Chlorophenyl)-3-hydroxy-2-methoxy-3,4-dihydroisoquinolin-1(2H)-one |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
303.066221012 u |
| Formula |
C16H14ClNO3 |
| InChI |
InChI=1S/C16H14ClNO3/c1-21-18-15(19)13-5-3-2-4-12(13)14(16(18)20)10-6-8-11(17)9-7-10/h2-9,14,16,20H,1H3 |
| InChIKey |
KHXVSUJXOYRLTG-UHFFFAOYSA-N |
| Instrument Name |
Finnigan SSQ Finnigan 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201710776 |
| Quality |
18 |
| Reported Formula |
C16H14ClNO3 |
| SMILES |
OC1N(C(C2=C(C1C1=CC=C(C=C1)Cl)C=CC=C2)=O)OC |
| SPLASH |
splash10-002f-0970000000-9b29e13e499d8bbc35f1 |
| Sample Comments |
dr = 5:1 |
| Source of Spectrum |
ACI-56-SM39-4ak (DOI: 10.1002/anie.201710776) |
| Thin-Layer Chromatography |
0.2 (pentane/EtOAc, 2:1) |
| Wiley ID |
1896671 |
