SpectraBase Compound ID | 1YJFpsqkuMT |
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InChI | InChI=1S/C25H30Br2ClNO4/c1-2-6-20(29-33-11-4-3-7-17-8-5-9-19(28)13-17)24-21(30)14-18(15-22(24)31)25(27)16-32-12-10-23(25)26/h3-5,8-9,13,18,23,30H,2,6-7,10-12,14-16H2,1H3/b4-3+,29-20- |
InChIKey | DGLVLHRRRNCOHM-HDUFJHCXSA-N |
Mol Weight | 603.78 g/mol |
Molecular Formula | C25H30Br2ClNO4 |
Exact Mass | 601.023012 g/mol |
SpectraBase Spectrum ID | 86Kf8FB9cKZ |
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Name | 2-Cyclohexen-1-one, 2-[1-[[[4-(3-chlorophenyl)-2-butenyl]oxy]imino]butyl]-5-(3,4-dibromotetrahydro-2H-pyran-3-yl)-3-hydroxy- |
CAS Registry Number | 130057-61-3 |
Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C25H30Br2ClNO4 |
InChI | InChI=1S/C25H30Br2ClNO4/c1-2-6-20(29-33-11-4-3-7-17-8-5-9-19(28)13-17)24-21(30)14-18(15-22(24)31)25(27)16-32-12-10-23(25)26/h3-5,8-9,13,18,23,30H,2,6-7,10-12,14-16H2,1H3/b4-3+,29-20- |
InChIKey | DGLVLHRRRNCOHM-HDUFJHCXSA-N |
Instrument Name | Bruker IFS 85 |
Purity | slightly contaminated |
Technique | Film |