| SpectraBase Spectrum ID |
AjTNyC6hAC5 |
| Name |
1-Nitro-2,3,4,5-tetrachlorobenzene |
| Source of Sample |
Sigma-Aldrich Cat. #34374 |
| CAS Registry Number |
879-39-0 |
| Classification |
Pesticides: Intermediers |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
258.876139074 u |
| Formula |
C6HCl4NO2 |
| InChI |
InChI=1S/C6HCl4NO2/c7-2-1-3(11(12)13)5(9)6(10)4(2)8/h1H |
| InChIKey |
MTBYTWZDRVOMBR-UHFFFAOYSA-N |
| Molecular Weight |
260.891 g/mol |
| Number of Peaks |
47 |
| RI1 |
1652 |
| SMILES |
c1(cc(c(Cl)c(Cl)c1Cl)N(=O)=O)Cl |
| SPLASH |
splash10-0r00-0590000000-d0de38ed0e63293ccf5d |
| Sample Comments |
RI1: measured on SLB-5ms (Alkanes)
RI2: measured on Equity-1 (Alkanes) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
Benzene, 1,2,3,4-tetrachloro-5-nitro- |
| Wiley ID |
LM_PEST_727 |
