| SpectraBase Spectrum ID |
ADHBaEzAeJX |
| Name |
1-(7-Chloroquinolin-4-yl)-5-(dichloromethyl)-3-(methoxycarbonylmethylsulfanyl)-4-nitro-1H-pyrazole |
| Appearance |
Light brown solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
459.956659120 u |
| Formula |
C16H11Cl3N4O4S |
| InChI |
InChI=1S/C16H11Cl3N4O4S/c1-27-12(24)7-28-16-14(23(25)26)13(15(18)19)22(21-16)11-4-5-20-10-6-8(17)2-3-9(10)11/h2-6,15H,7H2,1H3 |
| InChIKey |
DJHOUKVEYZAPOJ-UHFFFAOYSA-N |
| Instrument Name |
Hewlett-Packard 5989B |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.18.54 |
| Molecular Weight |
461.707 g/mol |
| Quality |
228 |
| Reported Formula |
C16H11Cl3N4O4S |
| SMILES |
C1(=C2C(=NC=C1)C=C(C=C2)Cl)N1N=C(C(=C1C(Cl)Cl)[N+]([O-])=O)SCC(OC)=O |
| SPLASH |
splash10-0002-9000300000-c8321750983ffe44bb5c |
| Source of Spectrum |
BJO-18-SM21-9c (DOI: 10.3762/bjoc.18.54) |
| Wiley ID |
1901317 |
