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1-(4-Methoxycarbonylamino-benzenesulfonyl)-piperidine-4-carboxylic acid ethyl ester

View entire compound with spectra: 2 NMR, and 1 MS (GC)

1-(4-Methoxycarbonylamino-benzenesulfonyl)-piperidine-4-carboxylic acid ethyl ester
SpectraBase Compound ID rBCLAsGH6N
InChI InChI=1S/C16H22N2O6S/c1-3-24-15(19)12-8-10-18(11-9-12)25(21,22)14-6-4-13(5-7-14)17-16(20)23-2/h4-7,12H,3,8-11H2,1-2H3,(H,17,20)
InChIKey AWIROLIUMWHKGH-UHFFFAOYSA-N
Mol Weight 370.42 g/mol
Molecular Formula C16H22N2O6S
Exact Mass 370.119858 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9rJXEbQXVMb
Name 1-(4-Methoxycarbonylamino-benzenesulfonyl)-piperidine-4-carboxylic acid ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.119857604 u
Formula C16H22N2O6S
InChI InChI=1S/C16H22N2O6S/c1-3-24-15(19)12-8-10-18(11-9-12)25(21,22)14-6-4-13(5-7-14)17-16(20)23-2/h4-7,12H,3,8-11H2,1-2H3,(H,17,20)
InChIKey AWIROLIUMWHKGH-UHFFFAOYSA-N
Molecular Weight 370.420 g/mol
SMILES CCOC(C1CCN(S(C2=CC=C(NC(OC)=O)C=C2)(=O)=O)CC1)=O