SpectraBase Compound ID | 1xDYMtYf8EJ |
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InChI | InChI=1S/C25H32ClNO5/c1-2-20(27-32-12-4-3-5-16-6-9-19(26)10-7-16)25-23(30)14-18(15-24(25)31)17-8-11-21(28)22(29)13-17/h3-4,6-7,9-10,17-18,21-22,28-30H,2,5,8,11-15H2,1H3/b4-3+,27-20- |
InChIKey | YPCLMQNSENNYDU-FZQXVUGBSA-N |
Mol Weight | 462.0 g/mol |
Molecular Formula | C25H32ClNO5 |
Exact Mass | 461.196901 g/mol |
SpectraBase Spectrum ID | GnIlAl1wkGn |
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Name | 2-Cyclohexen-1-one, 2-[1-[[[4-(4-chlorophenyl)-2-butenyl]oxy]imino]propyl]-5-(3,4-dihydroxycyclohexyl)-3-hydroxy- |
CAS Registry Number | 130058-05-8 |
Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C25H32ClNO5 |
InChI | InChI=1S/C25H32ClNO5/c1-2-20(27-32-12-4-3-5-16-6-9-19(26)10-7-16)25-23(30)14-18(15-24(25)31)17-8-11-21(28)22(29)13-17/h3-4,6-7,9-10,17-18,21-22,28-30H,2,5,8,11-15H2,1H3/b4-3+,27-20- |
InChIKey | YPCLMQNSENNYDU-FZQXVUGBSA-N |
Instrument Name | Bruker IFS 85 |
Purity | slightly contaminated |
Technique | Film |