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

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1-piperazinecarboxylic acid, 4-[[2-methyl-4-(4-methyl-1,1-dioxido-3-oxo-2-isothiazolidinyl)phenyl]sulfonyl]-, ethyl ester
SpectraBase Compound ID 8hVA6VedCCf
InChI InChI=1S/C18H25N3O7S2/c1-4-28-18(23)19-7-9-20(10-8-19)30(26,27)16-6-5-15(11-13(16)2)21-17(22)14(3)12-29(21,24)25/h5-6,11,14H,4,7-10,12H2,1-3H3
InChIKey KGKRGFLAYDSDKU-UHFFFAOYSA-N
Mol Weight 459.53 g/mol
Molecular Formula C18H25N3O7S2
Exact Mass 459.113392 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FwzMlseWZfo
Name 1-piperazinecarboxylic acid, 4-[[2-methyl-4-(4-methyl-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/C18H25N3O7S2/c1-4-28-18(23)19-7-9-20(10-8-19)30(26,27)16-6-5-15(11-13(16)2)21-17(22)14(3)12-29(21,24)25/h5-6,11,14H,4,7-10,12H2,1-3H3
InChIKey KGKRGFLAYDSDKU-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_9410
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: F35340; Labnumber: CHEKAN-00219