| SpectraBase Spectrum ID |
DkWPjg7rTsm |
| Name |
TCNB |
| CAS Registry Number |
117-18-0 |
| 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 |
258.876139074 u |
| Formula |
C6HCl4NO2 |
| InChI |
InChI=1S/C6HCl4NO2/c7-2-1-3(8)5(10)6(4(2)9)11(12)13/h1H |
| InChIKey |
XQTLDIFVVHJORV-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
260.891 g/mol |
| Nominal Mass |
259 u |
| Quality |
979 |
| Retention Index |
1656 |
| SMILES |
C1(=C(C(=CC(=C1Cl)Cl)Cl)Cl)[N+](=O)[O-] |
| SPLASH |
splash10-114i-1590000000-49f1bedac5cb963ba656 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
benzene,1,2,4,5-tetrachloro-3-nitro
1,2,4,5-Tetrachloro-3-nitrobenzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_017485 |
