![2-Cyclohexen-1-one, 2-[1-[[(5-bromo-2-thienyl)methoxy]imino]butyl]-3-hydroxy-5-[3-(1-methylethyl)-5-isoxazolyl]-](/api/spectrum/D2nGUNnRFRe/structure.png?h=300&w=458 "2-Cyclohexen-1-one, 2-[1-[[(5-bromo-2-thienyl)methoxy]imino]butyl]-3-hydroxy-5-[3-(1-methylethyl)-5-isoxazolyl]-")
| SpectraBase Compound ID | HqDg1Rv3KeJ |
|---|---|
| InChI | InChI=1S/C21H25BrN2O4S/c1-4-5-15(23-27-11-14-6-7-20(22)29-14)21-17(25)8-13(9-18(21)26)19-10-16(12(2)3)24-28-19/h6-7,10,12-13,25H,4-5,8-9,11H2,1-3H3 |
| InChIKey | OQGZBQAZERMTSG-UHFFFAOYSA-N |
| Mol Weight | 481.41 g/mol |
| Molecular Formula | C21H25BrN2O4S |
| Exact Mass | 480.071841 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | D2nGUNnRFRe |
|---|---|
| Name | 2-Cyclohexen-1-one, 2-[1-[[(5-bromo-2-thienyl)methoxy]imino]butyl]-3-hydroxy-5-[3-(1-methylethyl)-5-isoxazolyl]- |
| CAS Registry Number | 112301-66-3 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C21H25BrN2O4S |
| InChI | InChI=1S/C21H25BrN2O4S/c1-4-5-15(23-27-11-14-6-7-20(22)29-14)21-17(25)8-13(9-18(21)26)19-10-16(12(2)3)24-28-19/h6-7,10,12-13,25H,4-5,8-9,11H2,1-3H3 |
| InChIKey | OQGZBQAZERMTSG-UHFFFAOYSA-N |
| Instrument Name | Bruker IFS 85 |
| Purity | slightly contaminated |
| Technique | KBr-Pellet |