Butralin

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Systematic / IUPAC Name: N-sec-Butyl-4-(2-methyl-2-propanyl)-2,6-dinitroaniline

ID: Reference1949

Other Names: Butraline;
Dibutalin;
Rutralin;
Zitsaosol;
N-sec-Butyl-4-tert-butyl-2,6-dinitroaniline ; more

Formula: C14H21N3O4

Class: Pesticides/Herbicides

Spectral Data

Butralin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead ; Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 4
No. of Spectra 3513
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 1/14/2015 1:47:06 PM
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Identificators

InChI InChI=1S/C14H21N3O4/c1-6-9(2)15-13-11(16(18)19)7-10(14(3,4)5)8-12(13)17(20)21/h7-9,15H,6H2,1-5H3
InChI Key SPNQRCTZKIBOAX-UHFFFAOYSA-N
Canonical SMILES CCC(C)NC1=C(C=C(C=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-]
CAS 33629479
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Other Names Butraline;
Dibutalin;
Rutralin;
Zitsaosol;
N-sec-Butyl-4-tert-butyl-2,6-dinitroaniline;
Tamex;
Amex;
Amchem A-280;
Benzenamine, 4-(1,1-dimethylethyl)-N-(1-methylpropyl)-2,6-dinitro-;
4-(1,1-Dimethylethyl)-N-(1-methylpropyl)-2,6-dinitrobenzenamine;
N-sec-Butyl-4-tert-butyl-2,6-dinitrobenzamine;
4-(tert-Butyl)-N-sec-butyl-2,6-dinitroaniline;
Aniline, N-sec-butyl-4-tert-butyl-2,6-dinitro-;
N-(sec-Butyl)-4-(tert-butyl)-2,6-dinitroaniline;
N-(Butan-2-yl)-4-tert-butyl-2,6-dinitroaniline

In Other Databases

PubChem 36565
ChemIDPlus 033629479
Wikipedia Butralin (DE)
KEGG C18582
ChemSpider 33600
ChEMBL CHEMBL1256669