| SpectraBase Spectrum ID |
EP4s9j0na7u |
| Name |
4-(3-(Benzylthio)-5-(dichloromethyl)-4-nitro-1H-pyrazol-1-yl)-7-chloroquinoline |
| Appearance |
Light yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
477.982479947 u |
| Formula |
C20H13Cl3N4O2S |
| InChI |
InChI=1S/C20H13Cl3N4O2S/c21-13-6-7-14-15(10-13)24-9-8-16(14)26-17(19(22)23)18(27(28)29)20(25-26)30-11-12-4-2-1-3-5-12/h1-10,19H,11H2 |
| InChIKey |
VZTKFHMMCZOKBC-UHFFFAOYSA-N |
| Instrument Name |
Hewlett-Packard 5989B |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.18.54 |
| Molecular Weight |
479.769 g/mol |
| Quality |
33 |
| Reported Formula |
C20H13Cl3N4O2S |
| SMILES |
C1(=C2C(=NC=C1)C=C(C=C2)Cl)N1N=C(C(=C1C(Cl)Cl)[N+]([O-])=O)SCC1=CC=CC=C1 |
| SPLASH |
splash10-0006-9000000000-24051ecafd2c6d96f09b |
| Source of Spectrum |
BJO-18-SM21-9b (DOI: 10.3762/bjoc.18.54) |
| Wiley ID |
1901316 |
