| SpectraBase Spectrum ID |
AJo3YSc2fZO |
| Name |
Methyl-3-(8-chloro-3-hydroxy-2-methoxy-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl)propanoate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.071700314 u |
| Formula |
C14H16ClNO5 |
| InChI |
InChI=1S/C14H16ClNO5/c1-20-11(17)7-6-9-8-4-3-5-10(15)12(8)14(19)16(21-2)13(9)18/h3-5,9,13,18H,6-7H2,1-2H3 |
| InChIKey |
PITBIYCQLDNVKL-UHFFFAOYSA-N |
| Instrument Name |
Finnigan SSQ Finnigan 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201710776 |
| Quality |
42 |
| Reported Formula |
C14H16ClNO5 |
| SMILES |
OC1C(CCC(OC)=O)C2=C(C(N1OC)=O)C(=CC=C2)Cl |
| SPLASH |
splash10-0gb9-0490000000-f1f75cc15dd2075d6edf |
| Sample Comments |
dr = 7:1 |
| Source of Spectrum |
ACI-56-SM49-4mo (DOI: 10.1002/anie.201710776) |
| Thin-Layer Chromatography |
0.1 (pentane/EtOAc, 1:1) |
| Wiley ID |
1896677 |
