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(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl [(5-cyano-6-oxo-4-phenyl-1,6-dihydro-2-pyrimidinyl)sulfanyl]acetate
SpectraBase Compound ID 1DKCd3xmFKS
InChI InChI=1S/C22H14N4O5S/c23-10-16-18(13-6-2-1-3-7-13)24-22(25-19(16)28)32-11-17(27)31-12-26-20(29)14-8-4-5-9-15(14)21(26)30/h1-9H,11-12H2,(H,24,25,28)
InChIKey ZGDZONQNXRMWSM-UHFFFAOYSA-N
Mol Weight 446.44 g/mol
Molecular Formula C22H14N4O5S
Exact Mass 446.068491 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GvXbXKJ51Rt
Name (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl [(5-cyano-6-oxo-4-phenyl-1,6-dihydro-2-pyrimidinyl)sulfanyl]acetate
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/C22H14N4O5S/c23-10-16-18(13-6-2-1-3-7-13)24-22(25-19(16)28)32-11-17(27)31-12-26-20(29)14-8-4-5-9-15(14)21(26)30/h1-9H,11-12H2,(H,24,25,28)
InChIKey ZGDZONQNXRMWSM-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12440
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/9121730; UBI_ID: UBI-012443
Temperature 308 °C