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2-oxo-2-Phenylethyl 4-[(4-methyl-1-piperidinyl)sulfonyl]benzoate

View entire compound with spectra: 2 NMR

2-oxo-2-Phenylethyl 4-[(4-methyl-1-piperidinyl)sulfonyl]benzoate
SpectraBase Compound ID 3omuzGus4xB
InChI InChI=1S/C21H23NO5S/c1-16-11-13-22(14-12-16)28(25,26)19-9-7-18(8-10-19)21(24)27-15-20(23)17-5-3-2-4-6-17/h2-10,16H,11-15H2,1H3
InChIKey NWAQFWKLTXEHQL-UHFFFAOYSA-N
Mol Weight 401.48 g/mol
Molecular Formula C21H23NO5S
Exact Mass 401.129694 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9f655UYiTcp
Name 2-oxo-2-Phenylethyl 4-[(4-methyl-1-piperidinyl)sulfonyl]benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 401.129694014 u
Formula C21H23NO5S
InChI InChI=1S/C21H23NO5S/c1-16-11-13-22(14-12-16)28(25,26)19-9-7-18(8-10-19)21(24)27-15-20(23)17-5-3-2-4-6-17/h2-10,16H,11-15H2,1H3
InChIKey NWAQFWKLTXEHQL-UHFFFAOYSA-N
Molecular Weight 401.477 g/mol
SMILES C=1C=CC(C(COC(C2=CC=C(S(N3CCC(CC3)C)(=O)=O)C=C2)=O)=O)=CC1