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3-Piperidinecarboxylic acid, 1-[(2,5-dichlorophenyl)sulfonyl]-, ethyl ester
SpectraBase Compound ID MqBPfaQKGi
InChI InChI=1S/C14H17Cl2NO4S/c1-2-21-14(18)10-4-3-7-17(9-10)22(19,20)13-8-11(15)5-6-12(13)16/h5-6,8,10H,2-4,7,9H2,1H3
InChIKey JEBKMUZVRUKVCO-UHFFFAOYSA-N
Mol Weight 366.26 g/mol
Molecular Formula C14H17Cl2NO4S
Exact Mass 365.025535 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Es5YezvaKmv
Name 3-Piperidinecarboxylic acid, 1-[(2,5-dichlorophenyl)sulfonyl]-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 365.025534601 u
Formula C14H17Cl2NO4S
InChI InChI=1S/C14H17Cl2NO4S/c1-2-21-14(18)10-4-3-7-17(9-10)22(19,20)13-8-11(15)5-6-12(13)16/h5-6,8,10H,2-4,7,9H2,1H3
InChIKey JEBKMUZVRUKVCO-UHFFFAOYSA-N
Molecular Weight 366.259 g/mol
SMILES CCOC(C1CN(S(C=2C=C(Cl)C=CC2Cl)(=O)=O)CCC1)=O