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cis-Diofenolan
SpectraBase Compound ID dG5gui8KTp
InChI InChI=1S/C18H20O4/c1-2-18-20-13-17(22-18)12-19-14-8-10-16(11-9-14)21-15-6-4-3-5-7-15/h3-11,17-18H,2,12-13H2,1H3/t17-,18+/m1/s1
InChIKey ZDOOQPFIGYHZFV-MSOLQXFVSA-N
Mol Weight 300.35 g/mol
Molecular Formula C18H20O4
Exact Mass 300.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID utfdNl4nu3
Name cis-Diofenolan
Source of Sample Sigma-Aldrich Cat. #31668
CAS Registry Number 76531-41-4
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 300.136159120 u
Formula C18H20O4
InChI InChI=1S/C18H20O4/c1-2-18-20-13-17(22-18)12-19-14-8-10-16(11-9-14)21-15-6-4-3-5-7-15/h3-11,17-18H,2,12-13H2,1H3/t17-,18+/m1/s1
InChIKey ZDOOQPFIGYHZFV-MSOLQXFVSA-N
Molecular Weight 300.354 g/mol
Number of Peaks 48
RI1 2339
SMILES [C@]1(OC[C@](O1)(COc1ccc(cc1)Oc1ccccc1)[H])(CC)[H]
SPLASH splash10-000i-6912000000-a3c2bf67dc26546782ee
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 1,3-Dioxolane, 2-ethyl-4-[(4-phenoxyphenoxy)methyl]-, cis- (9CI)
Wiley ID LM_PEST_759