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3,3-DIMETHYL-1-(METHYLTHIO)-2-BUTANONE, (E)-O-(METHYLCARBAMOYL)OXIME
SpectraBase Compound ID 4HzLRoo8ruQ
InChI InChI=1S/C9H18N2O2S/c1-9(2,3)7(6-14-5)11-13-8(12)10-4/h6H2,1-5H3,(H,10,12)/b11-7+
InChIKey FZSVSABTBYGOQH-YRNVUSSQSA-N
Mol Weight 218.31 g/mol
Molecular Formula C9H18N2O2S
Exact Mass 218.108899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 89S3OkFRVbx
Name Thiofanox
Source of Sample Sigma-Aldrich Cat. #45314
CAS Registry Number 39196-18-4
Classification Pesticides: Acaricides
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 218.108899000 u
Formula C9H18N2O2S
InChI InChI=1S/C9H18N2O2S/c1-9(2,3)7(6-14-5)11-13-8(12)10-4/h6H2,1-5H3,(H,10,12)/b11-7+
InChIKey FZSVSABTBYGOQH-YRNVUSSQSA-N
Molecular Weight 218.315 g/mol
Number of Peaks 111
RI1 1280
SMILES N(C(O\N=C\(C(C)(C)C)CSC)=O)C
SPLASH splash10-0bt9-9200000000-1486a0741a63bc1dab3b
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 2-Butanone, 3,3-dimethyl-1-(methylthio)-, O-[(methylamino)carbonyl]oxime
Wiley ID LM_PEST_298