![2-Cyclohexen-1-one, 2-[1-[[(3-chloro-2-propenyl)oxy]imino]butyl]-5-[4,5-dihydro-5-methyl-3-(1-methylpropyl)-5-isoxazolyl]-3-hydroxy-](/api/spectrum/JEhAHHTqafR/structure.png?h=300&w=458 "2-Cyclohexen-1-one, 2-[1-[[(3-chloro-2-propenyl)oxy]imino]butyl]-5-[4,5-dihydro-5-methyl-3-(1-methylpropyl)-5-isoxazolyl]-3-hydroxy-")
| SpectraBase Compound ID | BWTg8JPOBv |
|---|---|
| InChI | InChI=1S/C21H31ClN2O4/c1-5-8-16(23-27-10-7-9-22)20-18(25)11-15(12-19(20)26)21(4)13-17(24-28-21)14(3)6-2/h7,9,14-15,25H,5-6,8,10-13H2,1-4H3/b9-7+,23-16+ |
| InChIKey | QGIJFWJXDDWOKS-IRGIJXAPSA-N |
| Mol Weight | 410.94 g/mol |
| Molecular Formula | C21H31ClN2O4 |
| Exact Mass | 410.197235 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | JEhAHHTqafR |
|---|---|
| Name | 2-Cyclohexen-1-one, 2-[1-[[(3-chloro-2-propenyl)oxy]imino]butyl]-5-[4,5-dihydro-5-methyl-3-(1-methylpropyl)-5-isoxazolyl]-3-hydroxy- |
| CAS Registry Number | 130113-99-4 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C21H31ClN2O4 |
| InChI | InChI=1S/C21H31ClN2O4/c1-5-8-16(23-27-10-7-9-22)20-18(25)11-15(12-19(20)26)21(4)13-17(24-28-21)14(3)6-2/h7,9,14-15,25H,5-6,8,10-13H2,1-4H3/b9-7+,23-16+ |
| InChIKey | QGIJFWJXDDWOKS-IRGIJXAPSA-N |
| Instrument Name | Bruker IFS 85 |
| Purity | slightly contaminated |
| Technique | Film |