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4-piperidinecarboxylic acid, 1-[(5E)-5-[[4-(1,1-dimethylethyl)phenyl]methylene]-4,5-dihydro-4-oxothiazolyl]-, ethyl ester

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4-piperidinecarboxylic acid, 1-[(5E)-5-[[4-(1,1-dimethylethyl)phenyl]methylene]-4,5-dihydro-4-oxothiazolyl]-, ethyl ester
SpectraBase Compound ID 4IOz6TtB53B
InChI InChI=1S/C22H28N2O3S/c1-5-27-20(26)16-10-12-24(13-11-16)21-23-19(25)18(28-21)14-15-6-8-17(9-7-15)22(2,3)4/h6-9,14,16H,5,10-13H2,1-4H3/b18-14+
InChIKey ZQUUUIWNRFTDBO-NBVRZTHBSA-N
Mol Weight 400.54 g/mol
Molecular Formula C22H28N2O3S
Exact Mass 400.182064 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BAcNGHr9An4
Name 4-piperidinecarboxylic acid, 1-[(5E)-5-[[4-(1,1-dimethylethyl)phenyl]methylene]-4,5-dihydro-4-oxothiazolyl]-, 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/C22H28N2O3S/c1-5-27-20(26)16-10-12-24(13-11-16)21-23-19(25)18(28-21)14-15-6-8-17(9-7-15)22(2,3)4/h6-9,14,16H,5,10-13H2,1-4H3/b18-14+
InChIKey ZQUUUIWNRFTDBO-NBVRZTHBSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_CB_8313_2441
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: NMR/9253723; Labnumber: LP-0801179
Temperature 303 °C