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Transpermethrin
SpectraBase Compound ID COLAj9BTENW
InChI InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/t17-,19+/m1/s1
InChIKey RLLPVAHGXHCWKJ-MJGOQNOKSA-N
Mol Weight 391.29 g/mol
Molecular Formula C21H20Cl2O3
Exact Mass 390.07895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 42hsS8goHV3
Name trans-Permethrin
Source of Sample Sigma-Aldrich Cat. #45614
CAS Registry Number 61949-77-7
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 390.078949901 u
Formula C21H20Cl2O3
InChI InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/t17-,19+/m1/s1
InChIKey RLLPVAHGXHCWKJ-MJGOQNOKSA-N
Molecular Weight 391.294 g/mol
Number of Peaks 47
RI1 2715
SMILES c1ccc(cc1)Oc1cccc(COC([C@@]2([C@](C2(C)C)(C=C(Cl)Cl)[H])[H])=O)c1
SPLASH splash10-001i-2900000000-2356f1a652a757aa03b6
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, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester, (1R,3S)-rel-
Wiley ID LM_PEST_313