| SpectraBase Spectrum ID |
2ng7L0zOFf6 |
| Name |
Diuron-A |
| CAS Registry Number |
102-36-3 |
| Classification |
Herbicide artifact |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
186.959169120 u |
| Formula |
C7H3Cl2NO |
| InChI |
InChI=1S/C7H3Cl2NO/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H |
| InChIKey |
MFUVCHZWGSJKEQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
188.013 g/mol |
| Nominal Mass |
187 u |
| Quality |
996 |
| Retention Index |
1294 |
| SMILES |
C=1(C=C(C(=CC1)Cl)Cl)N=C=O |
| SPLASH |
splash10-000i-2900000000-3895ddb9481d9a29c179 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3,4-Dichlorophenyl isocyanate
1,2-Dichloro-4-isocyanatobenzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_019144 |
