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2-tert-BUTYL-4,6-DINITROPHENOL
SpectraBase Compound ID 6xSrFXm3tY7
InChI InChI=1S/C10H12N2O5/c1-10(2,3)7-4-6(11(14)15)5-8(9(7)13)12(16)17/h4-5,13H,1-3H3
InChIKey IIPZYDQGBIWLBU-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 B3D4P1NsVRU
Name Dinoterb
Source of Sample Sigma-Aldrich Cat. #31241
CAS Registry Number 1420-07-1
Classification Pesticides: Molluscicides
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/c1-10(2,3)7-4-6(11(14)15)5-8(9(7)13)12(16)17/h4-5,13H,1-3H3
InChIKey IIPZYDQGBIWLBU-UHFFFAOYSA-N
Molecular Weight 240.215 g/mol
Number of Peaks 50
RI1 1779
SMILES Oc1c(cc(cc1C(C)(C)C)N(=O)=O)N(=O)=O
SPLASH splash10-004i-6980000000-6a1292fe9797074cff7d
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-(1,1-dimethylethyl)-4,6-dinitro-
Wiley ID LM_PEST_123