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2-sec-butyl-4,6-dinitrophenol
SpectraBase Compound ID J0VQcpt3Te0
InChI InChI=1S/C10H12N2O5/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17/h4-6,13H,3H2,1-2H3
InChIKey OWZPCEFYPSAJFR-UHFFFAOYSA-N
Mol Weight 240.21 g/mol
Molecular Formula C10H12N2O5
Exact Mass 240.074621 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4nrdqV87bjw
Name Dinoseb
Source of Sample Sigma-Aldrich Cat. #45453
CAS Registry Number 88-85-7
Classification Pesticides: Herbicides
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 240.074621489 u
Formula C10H12N2O5
InChI InChI=1S/C10H12N2O5/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17/h4-6,13H,3H2,1-2H3
InChIKey OWZPCEFYPSAJFR-UHFFFAOYSA-N
Molecular Weight 240.215 g/mol
Number of Peaks 48
RI1 1801
SMILES Oc1c(cc(cc1C(C)CC)N(=O)=O)N(=O)=O
SPLASH splash10-03di-5960000000-01dc37933a5c1fb8ea02
Sample Comments RI1: measured on SLB-5ms (Alkanes) RI2: measured on Equity-1 (Alkanes)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Phenol, 2-(1-methylpropyl)-4,6-dinitro-
Wiley ID LM_PEST_461