| SpectraBase Spectrum ID |
KrPOMQZYEQh |
| Name |
DIFLUBENZURONE ARTIFACT 1 (4CHLOROPHENYLISOCYANAT) |
| CAS Registry Number |
104-12-1 |
| 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 |
| Nominal Mass |
153 u |
| Number of Peaks |
42 |
| SMILES |
c1(ccc(cc1)Cl)N=C=O |
| SPLASH |
splash10-0udl-7900000000-3f9e8e4de87dd8e6ea78 |
| Source of Spectrum |
Dr. Rolf Kuehnle |
| Synonyms |
1-chloro-4-isocyanatobenzene |
| Technique |
GC/MS |
| Wiley ID |
WID_MSPA_3779 |
