SpectraBase Spectrum ID |
JFwSHMlz41g |
Name |
Hexazinone |
CAS Registry Number |
51235-04-2 |
Classification |
Herbicide |
Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
252.158625898 u |
Formula |
C12H20N4O2 |
InChI |
InChI=1S/C12H20N4O2/c1-14(2)10-13-11(17)16(12(18)15(10)3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3 |
InChIKey |
CAWXEEYDBZRFPE-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
252.318 g/mol |
Nominal Mass |
252 u |
Quality |
887 |
Retention Index |
2111 |
SMILES |
C1(N(C(N=C(N1C)N(C)C)=O)C1CCCCC1)=O |
SPLASH |
splash10-00di-8900000000-75aa0111e8bba49c5033 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4(1H,3H)-dione |
Technique |
GC/MS |
Wiley ID |
DD2024_001606 |