| SpectraBase Spectrum ID |
DoeEizU0mKe |
| Name |
Aklomide-A |
| CAS Registry Number |
28163-00-0 |
| Classification |
Pharmaceutical drug, artifact |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
181.988305043 u |
| Formula |
C7H3ClN2O2 |
| InChI |
InChI=1S/C7H3ClN2O2/c8-7-3-6(10(11)12)2-1-5(7)4-9/h1-3H |
| InChIKey |
ZIGQFRQZYVQQDR-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
182.566 g/mol |
| Nominal Mass |
182 u |
| Quality |
990 |
| Retention Index |
1432 |
| SMILES |
C=1(C=C(C(=CC1)C#N)Cl)[N+](=O)[O-] |
| SPLASH |
splash10-0f8i-5900000000-e6ff06b25be45845e815 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-Chloro-4-nitrobenzonitrile |
| Technique |
GC/MS |
| Wiley ID |
DD2024_011961 |
