| SpectraBase Spectrum ID |
KzIxDcBSOzQ |
| Name |
4-Benzyl-3,8-dihydroxy-2-methoxy-3,4-dihydroisoquinolin-1(2H)-one |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
299.115758027 u |
| Formula |
C17H17NO4 |
| InChI |
InChI=1S/C17H17NO4/c1-22-18-16(20)13(10-11-6-3-2-4-7-11)12-8-5-9-14(19)15(12)17(18)21/h2-9,13,16,19-20H,10H2,1H3 |
| InChIKey |
IKCHRJSBEWFSPS-UHFFFAOYSA-N |
| Instrument Name |
Finnigan SSQ Finnigan 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201710776 |
| Molecular Weight |
299.326 g/mol |
| Quality |
128 |
| Reported Formula |
C17H17NO4 |
| SMILES |
OC=1C2=C(C(C(N(C2=O)OC)O)CC2=CC=CC=C2)C=CC1 |
| SPLASH |
splash10-0002-1091000000-ed2e29f0c0157563985a |
| Sample Comments |
dr = 6:1 |
| Source of Spectrum |
ACI-56-SM43-4qa (DOI: 10.1002/anie.201710776) |
| Thin-Layer Chromatography |
0.1 (pentane/Et2O, 3:2) |
| Wiley ID |
1896681 |
