| SpectraBase Spectrum ID |
1qyiTHFmgS |
| Name |
7-Chloro-4-(5-(dichloromethyl)-4-nitro-3-(pyrrolidin-1-yl)-1H-pyrazol-1-yl)quinoline |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
425.021307809 u |
| Formula |
C17H14Cl3N5O2 |
| InChI |
InChI=1S/C17H14Cl3N5O2/c18-10-3-4-11-12(9-10)21-6-5-13(11)24-14(16(19)20)15(25(26)27)17(22-24)23-7-1-2-8-23/h3-6,9,16H,1-2,7-8H2 |
| InChIKey |
HPYSXLKRUPEAPN-UHFFFAOYSA-N |
| Instrument Name |
Hewlett-Packard 5989B |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.18.54 |
| Molecular Weight |
426.691 g/mol |
| Quality |
50 |
| Reported Formula |
C17H14Cl3N5O2 |
| SMILES |
C12=C(C=CN=C2C=C(C=C1)Cl)N1N=C(C(=C1C(Cl)Cl)[N+]([O-])=O)N1CCCC1 |
| SPLASH |
splash10-08fr-0100900000-a0cee1e6c5b9fc405f11 |
| Source of Spectrum |
BJO-18-SM10-5c (DOI: 10.3762/bjoc.18.54) |
| Wiley ID |
1901300 |
