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2-[(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-hydroxy-2-pyrimidinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide
SpectraBase Compound ID 8bT3kmYyqfe
InChI InChI=1S/C20H18ClN3O3S2/c1-27-16-6-4-14(5-7-16)22-19(26)12-29-20-23-15(10-18(25)24-20)11-28-17-8-2-13(21)3-9-17/h2-10H,11-12H2,1H3,(H,22,26)(H,23,24,25)
InChIKey MRPIDCRYJNRTGN-UHFFFAOYSA-N
Mol Weight 447.96 g/mol
Molecular Formula C20H18ClN3O3S2
Exact Mass 447.047811 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 71kjSStKaB3
Name 2-[(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-hydroxy-2-pyrimidinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide
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/C20H18ClN3O3S2/c1-27-16-6-4-14(5-7-16)22-19(26)12-29-20-23-15(10-18(25)24-20)11-28-17-8-2-13(21)3-9-17/h2-10H,11-12H2,1H3,(H,22,26)(H,23,24,25)
InChIKey MRPIDCRYJNRTGN-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_18866
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: UZI/9130544; UBI_ID: UBI-018869
Temperature 318 °C