| SpectraBase Spectrum ID |
5s9JxlwbIa3 |
| Name |
p-Chlorophenyl isocyanate |
| Source of Sample |
Metabolite/Artifact of Urea, N-(4-chlorophenyl)- |
| CAS Registry Number |
104-12-1 |
| Classification |
Pesticides: Artifacts, Degradation product, Metabolites |
| Copyright |
Copyright © 2016-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C7H4ClNO |
| InChI |
InChI=1S/C7H4ClNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H |
| InChIKey |
ADAKRBAJFHTIEW-UHFFFAOYSA-N |
| Number of Peaks |
89 |
| RI1 |
1137 |
| RI2 |
1103 |
| SMILES |
C(=O)=Nc1ccc(cc1)Cl |
| SPLASH |
splash10-0w4l-8900000000-0828b99f587e0cec67ab |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
Benzene, 1-chloro-4-isocyanato- |
| Wiley ID |
LM_PEST_993 |
