| SpectraBase Spectrum ID |
BQHIqA5kzdd |
| Name |
4-Butyl-8-chloro-3-hydroxy-2-methoxy-3,4-dihydroisoquinolin-1(2H)-one |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
283.097521141 u |
| Formula |
C14H18ClNO3 |
| InChI |
InChI=1S/C14H18ClNO3/c1-3-4-6-10-9-7-5-8-11(15)12(9)14(18)16(19-2)13(10)17/h5,7-8,10,13,17H,3-4,6H2,1-2H3 |
| InChIKey |
HVCCBKBLTJMEQK-UHFFFAOYSA-N |
| Instrument Name |
Finnigan SSQ Finnigan 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201710776 |
| Molecular Weight |
283.755 g/mol |
| Quality |
38 |
| Reported Formula |
C14H18ClNO3 |
| SMILES |
OC1C(CCCC)C2=C(C(N1OC)=O)C(=CC=C2)Cl |
| SPLASH |
splash10-014i-0790000000-10447f576a3b29341643 |
| Sample Comments |
dr = 15:1 |
| Source of Spectrum |
ACI-56-SM47-4md (DOI: 10.1002/anie.201710776) |
| Thin-Layer Chromatography |
0.3 (pentane/EtOAc, 2:1) |
| Wiley ID |
1896674 |
