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4-piperidinecarboxylic acid, 1-[[2-(2,5-dimethyl-1H-pyrrol-1-yl)-6-benzothiazolyl]carbonyl]-, methyl ester

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4-piperidinecarboxylic acid, 1-[[2-(2,5-dimethyl-1H-pyrrol-1-yl)-6-benzothiazolyl]carbonyl]-, methyl ester
SpectraBase Compound ID b5BYuKyH5x
InChI InChI=1S/C21H23N3O3S/c1-13-4-5-14(2)24(13)21-22-17-7-6-16(12-18(17)28-21)19(25)23-10-8-15(9-11-23)20(26)27-3/h4-7,12,15H,8-11H2,1-3H3
InChIKey BYFBWVLAHTVXFS-UHFFFAOYSA-N
Mol Weight 397.49 g/mol
Molecular Formula C21H23N3O3S
Exact Mass 397.146013 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K4Pahuqr8ay
Name 4-piperidinecarboxylic acid, 1-[[2-(2,5-dimethyl-1H-pyrrol-1-yl)-6-benzothiazolyl]carbonyl]-, methyl 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/C21H23N3O3S/c1-13-4-5-14(2)24(13)21-22-17-7-6-16(12-18(17)28-21)19(25)23-10-8-15(9-11-23)20(26)27-3/h4-7,12,15H,8-11H2,1-3H3
InChIKey BYFBWVLAHTVXFS-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_3870
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: F18893; Labnumber: ExLab-211316