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Tau-fluvalinate isomer II
SpectraBase Compound ID 6RTElk7HmI6
InChI InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m1/s1
InChIKey INISTDXBRIBGOC-XMMISQBUSA-N
Mol Weight 502.92 g/mol
Molecular Formula C26H22ClF3N2O3
Exact Mass 502.127105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JR7AYDC6ddR
Name Tau-fluvalinate isomer II
Source of Sample Sigma-Aldrich Cat. #FL-46294
CAS Registry Number 102851-06-9
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 502.127104762 u
Formula C26H22ClF3N2O3
InChI InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m1/s1
InChIKey INISTDXBRIBGOC-XMMISQBUSA-N
Molecular Weight 502.921 g/mol
Number of Peaks 47
RI1 2971
SMILES N([C@](C(C)C)(C(OC(c1cc(Oc2ccccc2)ccc1)C#N)=O)[H])c1c(Cl)cc(C(F)(F)F)cc1
SPLASH splash10-0udi-2290000000-c54f4c1f99705fea88fe
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 D-Valine, N-[2-chloro-4-(trifluoromethyl)phenyl]-, cyano(3-phenoxyphenyl)methyl ester isomer II
Wiley ID LM_PEST_303