| SpectraBase Spectrum ID |
GcOIKKf35kH |
| Name |
Chlornitrofen |
| Source of Sample |
LGC Cat. #DRE-C11342000; www.lgcstandards.com |
| CAS Registry Number |
1836-77-7 |
| Classification |
Pesticides: Herbicides |
| 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 |
316.941326154 u |
| Formula |
C12H6Cl3NO3 |
| InChI |
InChI=1S/C12H6Cl3NO3/c13-7-5-10(14)12(11(15)6-7)19-9-3-1-8(2-4-9)16(17)18/h1-6H |
| InChIKey |
XQNAUQUKWRBODG-UHFFFAOYSA-N |
| Molecular Weight |
318.543 g/mol |
| Number of Peaks |
50 |
| RI1 |
2320 |
| RI2 |
2259 |
| SMILES |
c1cc(ccc1N(=O)=O)Oc1c(cc(cc1Cl)Cl)Cl |
| SPLASH |
splash10-00kr-9784000000-6607adac31ff52992694 |
| 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, 1,3,5-trichloro-2-(4-nitrophenoxy)- |
| Wiley ID |
LM_PEST_969 |
