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2-(5-Ethyl-2-methylpiperidino)ethyl 3,5-dichlorobenzoate
SpectraBase Compound ID B8oUowYo5xb
InChI InChI=1S/C17H23Cl2NO2/c1-3-13-5-4-12(2)20(11-13)6-7-22-17(21)14-8-15(18)10-16(19)9-14/h8-10,12-13H,3-7,11H2,1-2H3
InChIKey LCYMMAFVXPNSOC-UHFFFAOYSA-N
Mol Weight 344.28 g/mol
Molecular Formula C17H23Cl2NO2
Exact Mass 343.110584 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ENejgYDWejO
Name 2-(5-Ethyl-2-methylpiperidino)ethyl 3,5-dichlorobenzoate
Comments Computed using HOSE algorithm
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Exact Mass 343.110584383 u
Formula C17H23Cl2NO2
InChI InChI=1S/C17H23Cl2NO2/c1-3-13-5-4-12(2)20(11-13)6-7-22-17(21)14-8-15(18)10-16(19)9-14/h8-10,12-13H,3-7,11H2,1-2H3
InChIKey LCYMMAFVXPNSOC-UHFFFAOYSA-N
Molecular Weight 344.282 g/mol
SMILES C1(=CC(=CC(=C1)Cl)Cl)C(OCCN1C(CCC(C1)CC)C)=O