| SpectraBase Spectrum ID |
DksG8awz2Nk |
| Name |
1,3-Dinitrobenzene |
| CAS Registry Number |
99-65-0 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
168.017106613 u |
| Formula |
C6H4N2O4 |
| InChI |
InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H |
| InChIKey |
WDCYWAQPCXBPJA-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
168.108 g/mol |
| Nominal Mass |
168 u |
| Quality |
948 |
| Retention Index |
1339 |
| SMILES |
C1(=CC([N+](=O)[O-])=CC=C1)[N+](=O)[O-] |
| SPLASH |
splash10-00or-9300000000-8d6e65cc3532e68bd1da |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001157 |
