| SpectraBase Spectrum ID |
4Blbxl4yFcT |
| Name |
1-(7-Chloroquinolin-4-yl)-5-(dichloromethyl)-3-(ethoxycarbonylmethylsulfanyl)-4-nitro-1H-pyrazole |
| Appearance |
Light brown solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
473.972309185 u |
| Formula |
C17H13Cl3N4O4S |
| InChI |
InChI=1S/C17H13Cl3N4O4S/c1-2-28-13(25)8-29-17-15(24(26)27)14(16(19)20)23(22-17)12-5-6-21-11-7-9(18)3-4-10(11)12/h3-7,16H,2,8H2,1H3 |
| InChIKey |
DAPDRPVNTAVPQZ-UHFFFAOYSA-N |
| Instrument Name |
Hewlett-Packard 5989B |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.18.54 |
| Molecular Weight |
475.734 g/mol |
| Quality |
123 |
| Reported Formula |
C17H13Cl3N4O4S |
| SMILES |
C1(=C2C(=NC=C1)C=C(C=C2)Cl)N1N=C(C(=C1C(Cl)Cl)[N+]([O-])=O)SCC(OCC)=O |
| SPLASH |
splash10-0002-9300200000-b2b5bfec37ac1e7a457a |
| Source of Spectrum |
BJO-18-SM22-9d (DOI: 10.3762/bjoc.18.54) |
| Wiley ID |
1901318 |
