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4-thiazolidinone, 5-[(4-ethoxyphenyl)methylene]-3-[3-(hexahydro-1H-azepin-1-yl)-3-oxopropyl]-2-thioxo-, (5Z)-
SpectraBase Compound ID 62Z1yWV89nm
InChI InChI=1S/C21H26N2O3S2/c1-2-26-17-9-7-16(8-10-17)15-18-20(25)23(21(27)28-18)14-11-19(24)22-12-5-3-4-6-13-22/h7-10,15H,2-6,11-14H2,1H3/b18-15-
InChIKey BBWRBJAOJXBZAG-SDXDJHTJSA-N
Mol Weight 418.57 g/mol
Molecular Formula C21H26N2O3S2
Exact Mass 418.138485 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AEcOUwTZ2Q7
Name 4-thiazolidinone, 5-[(4-ethoxyphenyl)methylene]-3-[3-(hexahydro-1H-azepin-1-yl)-3-oxopropyl]-2-thioxo-, (5Z)-
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/C21H26N2O3S2/c1-2-26-17-9-7-16(8-10-17)15-18-20(25)23(21(27)28-18)14-11-19(24)22-12-5-3-4-6-13-22/h7-10,15H,2-6,11-14H2,1H3/b18-15-
InChIKey BBWRBJAOJXBZAG-SDXDJHTJSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_7708
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/10329609