4-piperidinecarboxylic acid, 1-[[4-(4,4-dimethyl-1,1-dioxido-3-oxo-2-isothiazolidinyl)phenyl]sulfonyl]-, ethyl ester

SpectraBase Compound ID	jZMniLMCei
InChI	InChI=1S/C19H26N2O7S2/c1-4-28-17(22)14-9-11-20(12-10-14)30(26,27)16-7-5-15(6-8-16)21-18(23)19(2,3)13-29(21,24)25/h5-8,14H,4,9-13H2,1-3H3
InChIKey	MANWDJKGIQCYBB-UHFFFAOYSA-N Google Search
Mol Weight	458.54 g/mol
Molecular Formula	C19H26N2O7S2
Exact Mass	458.118144 g/mol

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SpectraBase Spectrum ID	E15eJJHmThz
Name	4-piperidinecarboxylic acid, 1-[[4-(4,4-dimethyl-1,1-dioxido-3-oxo-2-isothiazolidinyl)phenyl]sulfonyl]-, ethyl ester
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C19H26N2O7S2/c1-4-28-17(22)14-9-11-20(12-10-14)30(26,27)16-7-5-15(6-8-16)21-18(23)19(2,3)13-29(21,24)25/h5-8,14H,4,9-13H2,1-3H3
InChIKey	MANWDJKGIQCYBB-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_8751
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: F33607; Labnumber: CHEKAN-00053