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2-chloro-4-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-6-ethoxyphenyl 4-methoxybenzoate
SpectraBase Compound ID JsK4i6eDvFK
InChI InChI=1S/C21H17ClN2O6S/c1-3-29-16-10-11(8-14-18(25)23-21(31)24-19(14)26)9-15(22)17(16)30-20(27)12-4-6-13(28-2)7-5-12/h4-10H,3H2,1-2H3,(H2,23,24,25,26,31)
InChIKey UVUBNAIVKXNLAW-UHFFFAOYSA-N
Mol Weight 460.89 g/mol
Molecular Formula C21H17ClN2O6S
Exact Mass 460.049585 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ak8X6IXdjV0
Name 2-chloro-4-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-6-ethoxyphenyl 4-methoxybenzoate
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/C21H17ClN2O6S/c1-3-29-16-10-11(8-14-18(25)23-21(31)24-19(14)26)9-15(22)17(16)30-20(27)12-4-6-13(28-2)7-5-12/h4-10H,3H2,1-2H3,(H2,23,24,25,26,31)
InChIKey UVUBNAIVKXNLAW-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6521
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/1008693; UBI_ID: UBI-006523
Temperature 318 °C