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3-[(E)-3-keto-3-methoxy-2-methyl-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylic acid [4-keto-2-methyl-3-[(2E)-penta-2,4-dienyl]-1-cyclopent-2-enyl] ester

View entire compound with spectra: 2 NMR, and 5 MS (GC)

3-[(E)-3-keto-3-methoxy-2-methyl-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylic acid [4-keto-2-methyl-3-[(2E)-penta-2,4-dienyl]-1-cyclopent-2-enyl] ester
SpectraBase Compound ID 8gQYThCpQJR
InChI InChI=1S/C22H28O5/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6/h7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8+,13-11+
InChIKey VJFUPGQZSXIULQ-VKTMSVCMSA-N
Mol Weight 372.46 g/mol
Molecular Formula C22H28O5
Exact Mass 372.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2nCjrFa7EG
Name PYRETHRINE 2
CAS Registry Number 121-29-9
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 372.193673997 u
Formula C22H28O5
InChI InChI=1S/C22H28O5/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6/h7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8+,13-11+
InChIKey VJFUPGQZSXIULQ-VKTMSVCMSA-N
Molecular Weight 372.461 g/mol
Nominal Mass 372 u
Number of Peaks 122
SMILES CC1=C(C(=O)CC1OC(=O)C1C(C1(C)C)\C=C/(C)C(=O)OC)C\C=C\C=C
SPLASH splash10-08fu-3900000000-f06d0610d0125e411397
Source of Spectrum Dr. Rolf Kuehnle
Synonyms 2-methyl-4-oxo-3-[(2E)-2,4-pentadienyl]-2-cyclopenten-1-yl 3-[(1E)-3-methoxy-2-methyl-3-oxo-1-propenyl]-2,2-dimethylcyclopropanecarboxylate 2-methyl-4-oxo-3-[2,4-pentadienyl]-2-cyclopenten-1-yl 3-[3-methoxy-2-methyl-3-oxo-1-propenyl]-2,2-dimethylcyclopropanecarboxylate
Technique GC/MS
Wiley ID WID_MSPA_4231