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Bioallethrin
SpectraBase Compound ID I6eOKG0owiN
InChI InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3
InChIKey ZCVAOQKBXKSDMS-UHFFFAOYSA-N
Mol Weight 302.41 g/mol
Molecular Formula C19H26O3
Exact Mass 302.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GtastisHvf7
Name Bioallethrin isomer III
Source of Sample Sigma-Aldrich Cat. #31489
CAS Registry Number 584-79-2
Classification Pesticides: Insecticides
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 302.188194694 u
Formula C19H26O3
InChI InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3
InChIKey ZCVAOQKBXKSDMS-UHFFFAOYSA-N
Molecular Weight 302.414 g/mol
Number of Peaks 49
RI1 2072
SMILES CC1=C(C(=O)CC1OC(=O)C1C(C1(C)C)C=C(C)C)CC=C
SPLASH splash10-00dl-9800000000-d7610a94e2cb9ff7af09
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, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, 2-methyl-4-oxo-3-(2-propen-1-yl)-2-cyclopenten-1-yl ester
Wiley ID LM_PEST_397