| SpectraBase Spectrum ID |
GLqr8YmL9Bl |
| Name |
PYRETHRINE 3 |
| 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 |
76 |
| SMILES |
CC1=C(C(=O)CC1OC(=O)C1C(C1(C)C)\C=C/(C)C(=O)OC)C\C=C\C=C |
| SPLASH |
splash10-08gi-3900000000-de589cb8398c3d772ecb |
| 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_4232 |
![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](/api/spectrum/GLqr8YmL9Bl/structure.png?h=300&w=458 "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")
