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thiazolo[4,5-d]pyrimidine-3-propanaminium, 6-(4-ethoxyphenyl)-N,N-diethyl-2,3,6,7-tetrahydro-5-[[(2-methylphenyl)methyl]thio]-7-oxo-2-thioxo-, chloride

View entire compound with spectra: 1 NMR

thiazolo[4,5-d]pyrimidine-3-propanaminium, 6-(4-ethoxyphenyl)-N,N-diethyl-2,3,6,7-tetrahydro-5-[[(2-methylphenyl)methyl]thio]-7-oxo-2-thioxo-, chloride
SpectraBase Compound ID KFj9AmfNVum
InChI InChI=1S/C28H34N4O2S3.ClH/c1-5-30(6-2)17-10-18-31-25-24(37-28(31)35)26(33)32(22-13-15-23(16-14-22)34-7-3)27(29-25)36-19-21-12-9-8-11-20(21)4;/h8-9,11-16H,5-7,10,17-19H2,1-4H3;1H
InChIKey TUURNEPJVATFAP-UHFFFAOYSA-N
Mol Weight 591.2 g/mol
Molecular Formula C28H35ClN4O2S3
Exact Mass 590.161068 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CfncrMUHBkA
Name thiazolo[4,5-d]pyrimidine-3-propanaminium, 6-(4-ethoxyphenyl)-N,N-diethyl-2,3,6,7-tetrahydro-5-[[(2-methylphenyl)methyl]thio]-7-oxo-2-thioxo-, chloride
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/C28H34N4O2S3.ClH/c1-5-30(6-2)17-10-18-31-25-24(37-28(31)35)26(33)32(22-13-15-23(16-14-22)34-7-3)27(29-25)36-19-21-12-9-8-11-20(21)4;/h8-9,11-16H,5-7,10,17-19H2,1-4H3;1H
InChIKey TUURNEPJVATFAP-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_7359
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/10328893