| SpectraBase Spectrum ID |
3D3VbZTGBk |
| Name |
(2-methoxy-3-methyl-5-nitro-phenyl) 4-methylbenzenesulfonate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H15NO6S |
| InChI |
InChI=1S/C15H15NO6S/c1-10-4-6-13(7-5-10)23(19,20)22-14-9-12(16(17)18)8-11(2)15(14)21-3/h4-9H,1-3H3 |
| InChIKey |
QLXATMGTJZZCIF-UHFFFAOYSA-N |
| Instrument Name |
Thermo Scientific Orbitrap Fusion system |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201701895 |
| Molecular Weight |
337.346 g/mol |
| Quality |
118 |
| Reported Formula |
C15H15O6NS |
| SMILES |
C1(=C(C(=CC(=C1)[N+]([O-])=O)C)OC)OS(C1=CC=C(C=C1)C)(=O)=O |
| SPLASH |
splash10-0a4l-7902000000-15689b39da69b548b0ab |
| Source of Spectrum |
ACI-56-SM33-S26 (DOI: 10.1002/anie.201701895) |
| Thin-Layer Chromatography |
0.34 (EtOAc/n-hexane, 1:4) |
| Wiley ID |
1895876 |
