| SpectraBase Spectrum ID |
C1EbygwUxHQ |
| Name |
4-(1-(7-Chloroquinolin-4-yl)-5-(dichloromethyl)-4-nitro-1H-pyrazol-3-yl)morpholine |
| Appearance |
Light brown solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
441.016222428 u |
| Formula |
C17H14Cl3N5O3 |
| InChI |
InChI=1S/C17H14Cl3N5O3/c18-10-1-2-11-12(9-10)21-4-3-13(11)24-14(16(19)20)15(25(26)27)17(22-24)23-5-7-28-8-6-23/h1-4,9,16H,5-8H2 |
| InChIKey |
LJRXQGPKMTUAAH-UHFFFAOYSA-N |
| Instrument Name |
Hewlett-Packard 5989B |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.18.54 |
| Molecular Weight |
442.690 g/mol |
| Quality |
45 |
| Reported Formula |
C17H14Cl3N5O3 |
| SMILES |
C12=C(C=CN=C2C=C(C=C1)Cl)N1N=C(C(=C1C(Cl)Cl)[N+]([O-])=O)N1CCOCC1 |
| SPLASH |
splash10-01tc-0403900000-a6470230373b94b8ec2d |
| Source of Spectrum |
BJO-18-SM14-5i (DOI: 10.3762/bjoc.18.54) |
| Wiley ID |
1901306 |
