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1-[(4-Chlorophenyl)sulfonyl]-4-piperidinecarboxylic acid, tms

View entire compound with spectra: 1 NMR

1-[(4-Chlorophenyl)sulfonyl]-4-piperidinecarboxylic acid, tms
SpectraBase Compound ID DRHjBsLoqL0
InChI InChI=1S/C15H22ClNO4SSi/c1-23(2,3)21-15(18)12-8-10-17(11-9-12)22(19,20)14-6-4-13(16)5-7-14/h4-7,12H,8-11H2,1-3H3
InChIKey VVDSNWCIPFXQPQ-UHFFFAOYSA-N
Mol Weight 375.94 g/mol
Molecular Formula C15H22ClNO4SSi
Exact Mass 375.072734 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CyXrEWCRfHq
Name 1-[(4-Chlorophenyl)sulfonyl]-4-piperidinecarboxylic acid, tms
Comments Computed using HOSE algorithm
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Exact Mass 375.072733597 u
Formula C15H22ClNO4SSi
InChI InChI=1S/C15H22ClNO4SSi/c1-23(2,3)21-15(18)12-8-10-17(11-9-12)22(19,20)14-6-4-13(16)5-7-14/h4-7,12H,8-11H2,1-3H3
InChIKey VVDSNWCIPFXQPQ-UHFFFAOYSA-N
Molecular Weight 375.942 g/mol
SMILES C1N(CCC(C1)C(=O)O[Si](C)(C)C)S(=O)(=O)C1=CC=C(C=C1)Cl