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2-(5-Ethyl-2-methylpiperidino)ethyl 3,4-dichlorobenzoate
SpectraBase Compound ID 96nPS4tnmAC
InChI InChI=1S/C17H23Cl2NO2/c1-3-13-5-4-12(2)20(11-13)8-9-22-17(21)14-6-7-15(18)16(19)10-14/h6-7,10,12-13H,3-5,8-9,11H2,1-2H3
InChIKey ZCRAFEJIFCLKIH-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 2BIO0KVbNUQ
Name 2-(5-Ethyl-2-methylpiperidino)ethyl 3,4-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)8-9-22-17(21)14-6-7-15(18)16(19)10-14/h6-7,10,12-13H,3-5,8-9,11H2,1-2H3
InChIKey ZCRAFEJIFCLKIH-UHFFFAOYSA-N
Molecular Weight 344.282 g/mol
SMILES C1(N(CC(CC1)CC)CCOC(C=1C=C(Cl)C(Cl)=CC1)=O)C