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N-(4-chlorophenyl)-2-{[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydro-2-pyrimidinyl]sulfanyl}acetamide
SpectraBase Compound ID 2VanWUzbyKv
InChI InChI=1S/C20H15ClN4O3S/c1-28-15-4-2-3-12(9-15)18-16(10-22)19(27)25-20(24-18)29-11-17(26)23-14-7-5-13(21)6-8-14/h2-9H,11H2,1H3,(H,23,26)(H,24,25,27)
InChIKey BDWWQYDZVGZJRC-UHFFFAOYSA-N
Mol Weight 426.88 g/mol
Molecular Formula C20H15ClN4O3S
Exact Mass 426.055339 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J6VwHvNDWOv
Name N-(4-chlorophenyl)-2-{[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydro-2-pyrimidinyl]sulfanyl}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/C20H15ClN4O3S/c1-28-15-4-2-3-12(9-15)18-16(10-22)19(27)25-20(24-18)29-11-17(26)23-14-7-5-13(21)6-8-14/h2-9H,11H2,1H3,(H,23,26)(H,24,25,27)
InChIKey BDWWQYDZVGZJRC-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12425
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/9121358; UBI_ID: UBI-012428
Temperature 308 °C