![2-Cyclohexen-1-one, 2-[1-[[(3-chloro-2-propenyl)oxy]imino]butyl]-3-hydroxy-5-[3-(tetrahydro-2H-pyran-2-yl)-5-isoxazolyl]-](/api/spectrum/9O6ILawxM4g/structure.png?h=300&w=458 "2-Cyclohexen-1-one, 2-[1-[[(3-chloro-2-propenyl)oxy]imino]butyl]-3-hydroxy-5-[3-(tetrahydro-2H-pyran-2-yl)-5-isoxazolyl]-")
| SpectraBase Compound ID | C5aBWqztH62 |
|---|---|
| InChI | InChI=1S/C21H27ClN2O5/c1-2-6-15(23-28-10-5-8-22)21-17(25)11-14(12-18(21)26)20-13-16(24-29-20)19-7-3-4-9-27-19/h5,8,13-14,19,25H,2-4,6-7,9-12H2,1H3/b8-5+,23-15+ |
| InChIKey | CFCSJSQJKJISAI-NJXDKVMSSA-N |
| Mol Weight | 422.91 g/mol |
| Molecular Formula | C21H27ClN2O5 |
| Exact Mass | 422.16085 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 9O6ILawxM4g |
|---|---|
| Name | 2-Cyclohexen-1-one, 2-[1-[[(3-chloro-2-propenyl)oxy]imino]butyl]-3-hydroxy-5-[3-(tetrahydro-2H-pyran-2-yl)-5-isoxazolyl]- |
| CAS Registry Number | 130113-41-6 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C21H27ClN2O5 |
| InChI | InChI=1S/C21H27ClN2O5/c1-2-6-15(23-28-10-5-8-22)21-17(25)11-14(12-18(21)26)20-13-16(24-29-20)19-7-3-4-9-27-19/h5,8,13-14,19,25H,2-4,6-7,9-12H2,1H3/b8-5+,23-15+ |
| InChIKey | CFCSJSQJKJISAI-NJXDKVMSSA-N |
| Instrument Name | Bruker IFS 85 |
| Purity | slightly contaminated |
| Technique | KBr-Pellet |