| SpectraBase Spectrum ID |
B4dbMm4F9Gq |
| Name |
7-Chloro-4-(5-(dichloromethyl)-4-nitro-3-(1H-1,2,4-triazol-1-yl)-1H-pyrazol-1-yl)quinoline |
| Appearance |
Colorless solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
422.980505624 u |
| Formula |
C15H8Cl3N7O2 |
| InChI |
InChI=1S/C15H8Cl3N7O2/c16-8-1-2-9-10(5-8)20-4-3-11(9)24-12(14(17)18)13(25(26)27)15(22-24)23-7-19-6-21-23/h1-7,14H |
| InChIKey |
BFROGRAEOTTYNL-UHFFFAOYSA-N |
| Instrument Name |
Hewlett-Packard 5989B |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.18.54 |
| Molecular Weight |
424.635 g/mol |
| Quality |
56 |
| Reported Formula |
C15H8Cl3N7O2 |
| SMILES |
C12=C(C=CN=C2C=C(C=C1)Cl)N1N=C(C(=C1C(Cl)Cl)[N+]([O-])=O)N1C=NC=N1 |
| SPLASH |
splash10-0200-0404900000-4bd695f9a91b44706b55 |
| Source of Spectrum |
BJO-18-SM4-3b (DOI: 10.3762/bjoc.18.54) |
| Wiley ID |
1901294 |
