| SpectraBase Spectrum ID |
JnR70vg84Fc |
| Name |
4-(1-(4-(4-Methoxyphenyl)-2-methyl-1-tosyl-1,2-dihydroquinolin-3-yl)ethyl)phenol |
| Appearance |
Light yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
525.197379652 u |
| Formula |
C32H31NO4S |
| InChI |
InChI=1S/C32H31NO4S/c1-21-9-19-28(20-10-21)38(35,36)33-23(3)31(22(2)24-11-15-26(34)16-12-24)32(29-7-5-6-8-30(29)33)25-13-17-27(37-4)18-14-25/h5-20,22-23,34H,1-4H3 |
| InChIKey |
RZGOMKCGTIIQCF-UHFFFAOYSA-N |
| Instrument Name |
Finnigan SSQ or 7000 Thermo Deca XP |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201406503 |
| Molecular Weight |
525.663 g/mol |
| Quality |
15 |
| Reported Formula |
C32H31O4NS |
| SMILES |
OC1=CC=C(C(C2=C(C3=CC=C(OC)C=C3)C3=C(N(C2C)S(C2=CC=C(C=C2)C)(=O)=O)C=CC=C3)C)C=C1 |
| SPLASH |
splash10-0006-9000000000-e2201f00b60b4a9f6a75 |
| Sample Comments |
dr = 1.8:1 |
| Source of Spectrum |
QE-21-SM18-4c (DOI: 10.1002/chem.201406503) |
| Thin-Layer Chromatography |
0.30 (Hex/EtOAc, 3:1) |
| Wiley ID |
1906431 |
