| SpectraBase Spectrum ID |
H00VnAZEkY1 |
| Name |
(4-(1-(7-Chloroquinolin-4-yl)-5-(dichloromethyl)-4-nitro-1H-pyrazol-3-yl)piperazin-1-yl)(tetrahydrofuran-2-yl)methanone |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
538.068986276 u |
| Formula |
C22H21Cl3N6O4 |
| InChI |
InChI=1S/C22H21Cl3N6O4/c23-13-3-4-14-15(12-13)26-6-5-16(14)30-18(20(24)25)19(31(33)34)21(27-30)28-7-9-29(10-8-28)22(32)17-2-1-11-35-17/h3-6,12,17,20H,1-2,7-11H2 |
| InChIKey |
GAQFNDPZMROHKE-UHFFFAOYSA-N |
| Instrument Name |
Hewlett-Packard 5989B |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.18.54 |
| Molecular Weight |
539.807 g/mol |
| Quality |
39 |
| Reported Formula |
C22H21Cl3N6O4 |
| SMILES |
C12=C(C=CN=C2C=C(C=C1)Cl)N1N=C(C(=C1C(Cl)Cl)[N+]([O-])=O)N1CCN(CC1)C(C1OCCC1)=O |
| SPLASH |
splash10-03di-0600290000-3e1cf1c4cb8dfea74cca |
| Source of Spectrum |
BJO-18-SM15-5j (DOI: 10.3762/bjoc.18.54) |
| Wiley ID |
1901307 |
