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acetamide, 2-[[6-(4-ethoxyphenyl)-2,3,6,7-tetrahydro-3-(3-methoxyphenyl)-7-oxo-2-thioxothiazolo[4,5-d]pyrimidin-5-yl]thio]-N-(phenylmethyl)-
SpectraBase Compound ID 3nUgtdvRtlN
InChI InChI=1S/C29H26N4O4S3/c1-3-37-22-14-12-20(13-15-22)33-27(35)25-26(32(29(38)40-25)21-10-7-11-23(16-21)36-2)31-28(33)39-18-24(34)30-17-19-8-5-4-6-9-19/h4-16H,3,17-18H2,1-2H3,(H,30,34)
InChIKey AOHZZEGSSPYNSR-UHFFFAOYSA-N
Mol Weight 590.73 g/mol
Molecular Formula C29H26N4O4S3
Exact Mass 590.111619 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4UoSyxL7BCN
Name acetamide, 2-[[6-(4-ethoxyphenyl)-2,3,6,7-tetrahydro-3-(3-methoxyphenyl)-7-oxo-2-thioxothiazolo[4,5-d]pyrimidin-5-yl]thio]-N-(phenylmethyl)-
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/C29H26N4O4S3/c1-3-37-22-14-12-20(13-15-22)33-27(35)25-26(32(29(38)40-25)21-10-7-11-23(16-21)36-2)31-28(33)39-18-24(34)30-17-19-8-5-4-6-9-19/h4-16H,3,17-18H2,1-2H3,(H,30,34)
InChIKey AOHZZEGSSPYNSR-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_7044
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/10328263