3,5-Dinitro-o-cresol (DNOC)
1605
Reference
3,5-Dinitro-o-cresol (DNOC) Structure
Systematic / IUPAC Name: 2-Methyl-3,5-dinitrophenol
ID: Reference1605
Other Names:
Phenol, 2-methyl-3,5-dinitro-;
o-Cresol, 3,5-dinitro-;
4,6-Dinitro-2-hydroxytoluene
Formula: C7H6N2O5
Class: Pesticides/Herbicides
Spectral Data
3,5-Dinitro-o-cresol (DNOC) 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 | Q Exactive Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 97 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 12/2/2014 12:38:10 PM |
Identificators
| InChI | InChI=1S/C7H6N2O5/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10/h2-3,10H,1H3 |
| InChI Key | KSHJAFFDLKPUMT-UHFFFAOYSA-N |
| Canonical SMILES | CC1=C(C=C(C=C1O)[N+](=O)[O-])[N+](=O)[O-] |
| CAS | 497563 |
| Splash | |
| Other Names |
Phenol, 2-methyl-3,5-dinitro-; o-Cresol, 3,5-dinitro-; 4,6-Dinitro-2-hydroxytoluene |
In Other Databases
| ChemIDPlus | 000497563 |
| Wikipedia | Dinitro-o-cresol |
| PubChem | 68131 |
| ChemSpider | 61439 |