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PENDIMETHALIN;N-(1-ETHYLPROPYL)-3,4-DIMETHYL-2,6-DINITROBENZENAMINE
SpectraBase Compound ID 6PdUo8QjunG
InChI InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h7,10,14H,5-6H2,1-4H3
InChIKey CHIFOSRWCNZCFN-UHFFFAOYSA-N
Mol Weight 281.31 g/mol
Molecular Formula C13H19N3O4
Exact Mass 281.137556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8F76SpZZ2si
Name Pendimethalin
CAS Registry Number 40487-42-1
Classification Herbicide
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 281.137556100 u
Formula C13H19N3O4
InChI InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h7,10,14H,5-6H2,1-4H3
InChIKey CHIFOSRWCNZCFN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 281.312 g/mol
Nominal Mass 281 u
Quality 980
Retention Index 2249
SMILES C1(=C(C(=C(C=C1[N+](=O)[O-])C)C)[N+](=O)[O-])NC(CC)CC
SPLASH splash10-0udl-5950000000-9445eb3f7e03356e1155
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3,4-Dimethyl-2,6-dinitro-N-pentan-3-yl-aniline
Technique GC/MS
Wiley ID DD2024_003496