| SpectraBase Spectrum ID |
BQPam1p8LO3 |
| Name |
7-Chloro-4-(5-(dichloromethyl)-4-nitro-3-(propylthio)-1H-pyrazol-1-yl)quinoline |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
429.982479947 u |
| Formula |
C16H13Cl3N4O2S |
| InChI |
InChI=1S/C16H13Cl3N4O2S/c1-2-7-26-16-14(23(24)25)13(15(18)19)22(21-16)12-5-6-20-11-8-9(17)3-4-10(11)12/h3-6,8,15H,2,7H2,1H3 |
| InChIKey |
KRLGQDCDBGTKOK-UHFFFAOYSA-N |
| Instrument Name |
Hewlett-Packard 5989B |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.18.54 |
| Molecular Weight |
431.725 g/mol |
| Quality |
49 |
| Reported Formula |
C16H13Cl3N4O2S |
| SMILES |
C1(=C2C(=NC=C1)C=C(C=C2)Cl)N1N=C(C(=C1C(Cl)Cl)[N+]([O-])=O)SCCC |
| SPLASH |
splash10-03e9-0904700000-8506ecfea29f4ed510a4 |
| Source of Spectrum |
BJO-18-SM20-9a (DOI: 10.3762/bjoc.18.54) |
| Wiley ID |
1901315 |
