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butanoic acid, 4-(methylthio)-2-[[[4-(1-naphthalenylmethyl)-1-piperazinyl]carbonothioyl]amino]-, methyl ester, (2S)-
SpectraBase Compound ID FAVYOJjL4yr
InChI InChI=1S/C22H29N3O2S2/c1-27-21(26)20(10-15-29-2)23-22(28)25-13-11-24(12-14-25)16-18-8-5-7-17-6-3-4-9-19(17)18/h3-9,20H,10-16H2,1-2H3,(H,23,28)
InChIKey JXGBOUXFAHXKSB-UHFFFAOYSA-N
Mol Weight 431.61 g/mol
Molecular Formula C22H29N3O2S2
Exact Mass 431.17012 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KI92D8C4tLQ
Name butanoic acid, 4-(methylthio)-2-[[[4-(1-naphthalenylmethyl)-1-piperazinyl]carbonothioyl]amino]-, methyl ester, (2S)-
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/C22H29N3O2S2/c1-27-21(26)20(10-15-29-2)23-22(28)25-13-11-24(12-14-25)16-18-8-5-7-17-6-3-4-9-19(17)18/h3-9,20H,10-16H2,1-2H3,(H,23,28)
InChIKey JXGBOUXFAHXKSB-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_11109
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: F41044; Labnumber: NNA-V-23973
Temperature 315 °C