| SpectraBase Spectrum ID |
BKsiGOAP48S |
| Name |
1-(7-Chloroquinolin-4-yl)-5-(dichloromethyl)-3-(ethoxycarbonylmethylsulfinyl)-4-nitro-1H-pyrazole |
| Appearance |
Light brown soli |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
489.967223804 u |
| Formula |
C17H13Cl3N4O5S |
| InChI |
InChI=1S/C17H13Cl3N4O5S/c1-2-29-13(25)8-30(28)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 |
ZRSJCLGLSRPBIY-UHFFFAOYSA-N |
| Instrument Name |
Hewlett-Packard 5989B |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.18.54 |
| Molecular Weight |
491.733 g/mol |
| Quality |
31 |
| Reported Formula |
C17H13Cl3N4O5S |
| SMILES |
C1(=C2C(=NC=C1)C=C(C=C2)Cl)N1N=C(C(=C1C(Cl)Cl)[N+]([O-])=O)S(CC(OCC)=O)=O |
| SPLASH |
splash10-03di-0924400000-0552d297693f9055a301 |
| Source of Spectrum |
BJO-18-SM23-10d (DOI: 10.3762/bjoc.18.54) |
| Wiley ID |
1901291 |
