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2-Cyclohexen-1-one, 2-[1-[[(3-chloro-2-propenyl)oxy]imino]butyl]-3-hydroxy-5-(4-methylphenyl)-
SpectraBase Compound ID GtoMvrYtivb
InChI InChI=1S/C20H24ClNO3/c1-3-5-17(22-25-11-4-10-21)20-18(23)12-16(13-19(20)24)15-8-6-14(2)7-9-15/h4,6-10,16,23H,3,5,11-13H2,1-2H3/b10-4+,22-17+
InChIKey AKDGZOVWDQEZSV-OSQHAXCESA-N
Mol Weight 361.87 g/mol
Molecular Formula C20H24ClNO3
Exact Mass 361.144471 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HKOEeFqSmEV
Name 2-Cyclohexen-1-one, 2-[1-[[(3-chloro-2-propenyl)oxy]imino]butyl]-3-hydroxy-5-(4-methylphenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 361.144471334 u
Formula C20H24ClNO3
InChI InChI=1S/C20H24ClNO3/c1-3-5-17(22-25-11-4-10-21)20-18(23)12-16(13-19(20)24)15-8-6-14(2)7-9-15/h4,6-10,16,23H,3,5,11-13H2,1-2H3/b10-4+,22-17+
InChIKey AKDGZOVWDQEZSV-OSQHAXCESA-N
Molecular Weight 361.869 g/mol
SMILES OC=1CC(C=2C=CC(=CC2)C)CC(C1\C(=N\OC\C=C\Cl)CCC)=O