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FENVALERATE PESTANAL
SpectraBase Compound ID JNX10jqYYh2
InChI InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3
InChIKey NYPJDWWKZLNGGM-UHFFFAOYSA-N
Mol Weight 419.91 g/mol
Molecular Formula C25H22ClNO3
Exact Mass 419.128821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FtTQQxANkU
Name Fenvalerate isomer I
Source of Sample Sigma-Aldrich Cat. #46277
CAS Registry Number 51630-58-1
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 419.128821269 u
Formula C25H22ClNO3
InChI InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3
InChIKey NYPJDWWKZLNGGM-UHFFFAOYSA-N
Molecular Weight 419.908 g/mol
Number of Peaks 47
RI1 2938
SMILES CC(C)C(c1ccc(cc1)Cl)C(=O)OC(C#N)c1cccc(c1)Oc1ccccc1
SPLASH splash10-00or-1910000000-06a27a1cb3bd1423f283
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 Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester
Wiley ID LM_PEST_272