| SpectraBase Spectrum ID |
65ZWDRHWboL |
| Name |
1-Chloro-2,4-dinitrobenzene |
| CAS Registry Number |
97-00-7 |
| Classification |
Pharmaceutical drug, thioredoxin reductase inhibitor |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
201.978134281 u |
| Formula |
C6H3ClN2O4 |
| InChI |
InChI=1S/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H |
| InChIKey |
VYZAHLCBVHPDDF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
202.553 g/mol |
| Nominal Mass |
202 u |
| Quality |
965 |
| Retention Index |
1529 |
| SMILES |
C1(=C(C=CC(=C1)[N+](=O)[O-])Cl)[N+](=O)[O-] |
| SPLASH |
splash10-0it9-9420000000-5487382a35a3312a3721 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-Chloro-2,4-dinitro-benzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000550 |
