| SpectraBase Spectrum ID |
SghmdrmmO |
| Name |
2-((1-(7-Chloroquinol-4-yl)-5-(dichloromethyl)-4-nitro-1H-pyrazol-3-yl)(methyl)-amino)ethan-1-ol |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
429.016222428 u |
| Formula |
C16H14Cl3N5O3 |
| InChI |
InChI=1S/C16H14Cl3N5O3/c1-22(6-7-25)16-14(24(26)27)13(15(18)19)23(21-16)12-4-5-20-11-8-9(17)2-3-10(11)12/h2-5,8,15,25H,6-7H2,1H3 |
| InChIKey |
QJOSOMNERZMGIR-UHFFFAOYSA-N |
| Instrument Name |
Hewlett-Packard 5989B |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.18.54 |
| Molecular Weight |
430.679 g/mol |
| Quality |
63 |
| Reported Formula |
C16H14Cl3N5O3 |
| SMILES |
OCCN(C=1C(=C(N(N1)C1=C2C(=NC=C1)C=C(C=C2)Cl)C(Cl)Cl)[N+]([O-])=O)C |
| SPLASH |
splash10-0udj-0105900000-2d035e9b28392b68fe5d |
| Source of Spectrum |
BJO-18-SM19-7 (DOI: 10.3762/bjoc.18.54) |
| Wiley ID |
1901314 |
