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Transpermethrin
SpectraBase Compound ID FSgBoH8OXrI
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-/m0/s1
InChIKey RLLPVAHGXHCWKJ-NNBQYGFHSA-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 Dl3zlDVguWW
Name Permethrin II
CAS Registry Number 52645-53-1
Classification Insecticide
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found)
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. 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-/m0/s1
InChIKey RLLPVAHGXHCWKJ-NNBQYGFHSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 391.294 g/mol
Nominal Mass 390 u
Quality 996
Retention Index 2859
SMILES [C@]1(C(C1C=C(Cl)Cl)(C)C)(C(OCC=1C=C(OC2=CC=CC=C2)C=CC1)=O)[H]
SPLASH splash10-001i-3900000000-93090aa52eef435d8325
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Transpermethrin 3-phenoxybenzyl-(1RS,3RS)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate
Technique GC/MS
Wiley ID DD2024_032443