Pyrethrin I

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Systematic / IUPAC Name: (1S)-2-Methyl-4-oxo-3-[(2Z)-2,4-pentadien-1-yl]-2-cyclopenten-1-yl (1R,3R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate

ID: Reference1675

Other Names: (1S)-2-Methyl-4-oxo-3-[(2Z)-penta-2,4-dien-1-yl]cyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate

Formula: C21H28O3

Class: Pesticides/Herbicides

Spectral Data

Pyrethrin I mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 41
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/12/2015 2:53:54 PM
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Identificators

InChI InChI=1S/C21H28O3/c1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8-/t16-,18+,19+/m1/s1
InChI Key ROVGZAWFACYCSP-VUMXUWRFSA-N
Canonical SMILES CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=CC=C
CAS
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Other Names (1S)-2-Methyl-4-oxo-3-[(2Z)-penta-2,4-dien-1-yl]cyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate

In Other Databases

ChEBI CHEBI:27815
Wikipedia Pyrethrin I
PubChem 5281045
ChemSpider 4521834
KEGG C07594; D08452