Buturon
13303
Reference
Buturon Structure
Systematic / IUPAC Name: 1-But-3-yn-2-yl-3-(4-chlorophenyl)-1-methylurea
ID: Reference13303
Other Names:
AA-1405;
1-(3-Butyn-2-yl)-3-(4-chlorophenyl)-1-methylurea
Formula: C12H13ClN2O
Class: Pesticides/Herbicides
Spectral Data
Buturon mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap ID-X with ETD_Cal Gateshead |
| No. of Spectral Trees | 3 |
| No. of Spectra | 550 |
| Tandem Spectra | MS1, MS2, MS3 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/12/2024 9:07:22 AM |
Identificators
| InChI | InChI=1S/C12H13ClN2O/c1-4-9(2)15(3)12(16)14-11-7-5-10(13)6-8-11/h1,5-9H,2-3H3,(H,14,16) |
| InChI Key | BYYMILHAKOURNM-UHFFFAOYSA-N |
| Canonical SMILES | CC(C#C)N(C)C(=O)NC1=CC=C(C=C1)Cl |
| CAS | |
| Splash | |
| Other Names |
AA-1405; 1-(3-Butyn-2-yl)-3-(4-chlorophenyl)-1-methylurea |