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Empenthrin isomer III
SpectraBase Compound ID K2hIphUKpPU
InChI InChI=1S/C18H26O2/c1-8-10-13(5)15(9-2)20-17(19)16-14(11-12(3)4)18(16,6)7/h2,10-11,14-16H,8H2,1,3-7H3/b13-10+
InChIKey YUGWDVYLFSETPE-JLHYYAGUSA-N
Mol Weight 274.4 g/mol
Molecular Formula C18H26O2
Exact Mass 274.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GL2Cbs6wZvw
Name Empenthrin isomer III
Source of Sample Sigma-Aldrich Cat. #33312
CAS Registry Number 54406-48-3
Classification Pesticides: Insecticides
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 274.193280075 u
Formula C18H26O2
InChI InChI=1S/C18H26O2/c1-8-10-13(5)15(9-2)20-17(19)16-14(11-12(3)4)18(16,6)7/h2,10-11,14-16H,8H2,1,3-7H3/b13-10+
InChIKey YUGWDVYLFSETPE-JLHYYAGUSA-N
Molecular Weight 274.404 g/mol
Number of Peaks 182
RI1 1725
SMILES C1(C(C=C(C)C)C1(C)C)C(OC(\C(=C\CC)C)C#C)=O
SPLASH splash10-006x-9600000000-03f13f507fa0f05f47fd
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 Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, 1-ethynyl-2-methyl-2-penten-1-yl ester
Wiley ID LM_PEST_405