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4-(4-Chloranyl-2-methyl-phenoxy)-1-(2,6-dimethylpiperidin-1-yl)butan-1-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-(4-Chloranyl-2-methyl-phenoxy)-1-(2,6-dimethylpiperidin-1-yl)butan-1-one
SpectraBase Compound ID AAA2PD0wFeH
InChI InChI=1S/C18H26ClNO2/c1-13-12-16(19)9-10-17(13)22-11-5-8-18(21)20-14(2)6-4-7-15(20)3/h9-10,12,14-15H,4-8,11H2,1-3H3
InChIKey HTIJBXMCUJQFTH-UHFFFAOYSA-N
Mol Weight 323.86 g/mol
Molecular Formula C18H26ClNO2
Exact Mass 323.165207 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HAborHHDKOM
Name 4-(4-Chloranyl-2-methyl-phenoxy)-1-(2,6-dimethylpiperidin-1-yl)butan-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.165206779 u
Formula C18H26ClNO2
InChI InChI=1S/C18H26ClNO2/c1-13-12-16(19)9-10-17(13)22-11-5-8-18(21)20-14(2)6-4-7-15(20)3/h9-10,12,14-15H,4-8,11H2,1-3H3
InChIKey HTIJBXMCUJQFTH-UHFFFAOYSA-N
Molecular Weight 323.864 g/mol
SMILES C(CC(N1C(CCCC1C)C)=O)COC1=CC=C(C=C1C)Cl