| SpectraBase Spectrum ID |
8YkIhGhobsS |
| 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 |
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 |
152.998141452 u |
| Formula |
C7H4ClNO |
| InChI |
InChI=1S/C7H4ClNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H |
| InChIKey |
ADAKRBAJFHTIEW-UHFFFAOYSA-N |
| Molecular Weight |
153.568 g/mol |
| Number of Peaks |
89 |
| RI1 |
1137 |
| RI2 |
1103 |
| SMILES |
c1(N=C=O)ccc(cc1)Cl |
| SPLASH |
splash10-0w4l-8900000000-0828b99f587e0cec67ab |
| 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-chloro-4-isocyanato- |
| Wiley ID |
LM_PEST_993 |
