| SpectraBase Spectrum ID |
9FVszCBuGJd |
| Name |
1-(7-chloroquinolin-4-yl)-5-(dichloromethyl)-N-[(2-fluorophenyl)methyl]-4-nitro-1H-pyrazol-3-amine |
| Appearance |
Light yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
479.011885940 u |
| Formula |
C20H13Cl3FN5O2 |
| InChI |
InChI=1S/C20H13Cl3FN5O2/c21-12-5-6-13-15(9-12)25-8-7-16(13)28-17(19(22)23)18(29(30)31)20(27-28)26-10-11-3-1-2-4-14(11)24/h1-9,19H,10H2,(H,26,27) |
| InChIKey |
PALDGSJLQXXXOF-UHFFFAOYSA-N |
| Instrument Name |
Hewlett-Packard 5989B |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.18.54 |
| Molecular Weight |
480.714 g/mol |
| Quality |
169 |
| Reported Formula |
C20H13Cl3FN5O2 |
| SMILES |
N(C1=NN(C2=C3C(=NC=C2)C=C(C=C3)Cl)C(=C1[N+]([O-])=O)C(Cl)Cl)CC1=C(C=CC=C1)F |
| SPLASH |
splash10-0a4i-0900100000-2623e8a88062cf64f429 |
| Source of Spectrum |
BJO-18-SM16-5l (DOI: 10.3762/bjoc.18.54) |
| Wiley ID |
1901309 |
![1-(7-chloroquinolin-4-yl)-5-(dichloromethyl)-N-[(2-fluorophenyl)methyl]-4-nitro-1H-pyrazol-3-amine](/api/spectrum/9FVszCBuGJd/structure.png?h=300&w=458 "1-(7-chloroquinolin-4-yl)-5-(dichloromethyl)-N-[(2-fluorophenyl)methyl]-4-nitro-1H-pyrazol-3-amine")
