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PYRETHRINE 1

View entire compound with spectra: 1 MS (GC)

PYRETHRINE 1
SpectraBase Compound ID HaypUpDpwG8
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
InChIKey ROVGZAWFACYCSP-WIURDZCKSA-N
Mol Weight 328.45 g/mol
Molecular Formula C21H28O3
Exact Mass 328.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 47IDfIjeX6P
Name PYRETHRINE 1
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 328.203844759 u
Formula C21H28O3
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
InChIKey ROVGZAWFACYCSP-WIURDZCKSA-N
Molecular Weight 328.452 g/mol
Nominal Mass 328 u
Number of Peaks 105
SMILES [C@]1(C([C@@]1(C=C(C)C)[H])(C)C)(C(=O)O[C@@]1(C(=C(C(C1)=O)C\C=C\C=C)C)[H])[H]
SPLASH splash10-0233-6900000000-abd9334e39349e389153
Source of Spectrum Dr. Rolf Kuehnle
Synonyms (1S)-2-methyl-4-oxo-3-[(2E)-2,4-pentadienyl]-2-cyclopenten-1-yl (1R,3R)-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate 2-methyl-4-oxo-3-[2,4-pentadienyl]-2-cyclopenten-1-yl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate
Technique GC/MS
Wiley ID WID_MSPA_4230