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1-(Phenylsulfonyl)-4,4-piperdinedicarboxylic acid, diethyl ester

View entire compound with spectra: 3 NMR, and 1 FTIR

1-(Phenylsulfonyl)-4,4-piperdinedicarboxylic acid, diethyl ester
SpectraBase Compound ID HITIv7CVCfR
InChI InChI=1S/C17H23NO6S/c1-3-23-15(19)17(16(20)24-4-2)10-12-18(13-11-17)25(21,22)14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3
InChIKey FCBVATUIFZFXMB-UHFFFAOYSA-N
Mol Weight 369.43 g/mol
Molecular Formula C17H23NO6S
Exact Mass 369.124609 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EXn5BW4FVsu
Name 1-(Phenylsulfonyl)-4,4-piperdinedicarboxylic acid, diethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 369.124608633 u
Formula C17H23NO6S
InChI InChI=1S/C17H23NO6S/c1-3-23-15(19)17(16(20)24-4-2)10-12-18(13-11-17)25(21,22)14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3
InChIKey FCBVATUIFZFXMB-UHFFFAOYSA-N
Molecular Weight 369.432 g/mol
SMILES C1N(CCC(C1)(C(OCC)=O)C(=O)OCC)S(=O)(=O)C=1C=CC=CC1