| SpectraBase Spectrum ID |
2TOGOKRWJ1 |
| Name |
4-Chloroaniline |
| Source of Sample |
Metabolite of Urea, N-(4-chlorophenyl)-; Sigma-Aldrich Cat. #35823 |
| CAS Registry Number |
106-47-8 |
| Classification |
Pesticides: Artifacts, Degradation product, Metabolites |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
127.018876897 u |
| Formula |
C6H6ClN |
| InChI |
InChI=1S/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2 |
| InChIKey |
QSNSCYSYFYORTR-UHFFFAOYSA-N |
| Molecular Weight |
127.574 g/mol |
| Number of Peaks |
46 |
| RI1 |
1201 |
| RI2 |
1164 |
| SMILES |
Nc1ccc(cc1)Cl |
| SPLASH |
splash10-004i-6900000000-1fe68f5f905d02c6e162 |
| 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 |
Benzenamine, 4-chloro- |
| Wiley ID |
LM_PEST_784 |
