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4-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-ethoxyphenyl 4-methylbenzoate
SpectraBase Compound ID 8zlvqTdOWZy
InChI InChI=1S/C21H18N2O5S/c1-3-27-17-11-13(10-15-18(24)22-21(29)23-19(15)25)6-9-16(17)28-20(26)14-7-4-12(2)5-8-14/h4-11H,3H2,1-2H3,(H2,22,23,24,25,29)
InChIKey TYTQUFRXZVEJIF-UHFFFAOYSA-N
Mol Weight 410.44 g/mol
Molecular Formula C21H18N2O5S
Exact Mass 410.093643 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KVOPk2eUaGb
Name 4-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-ethoxyphenyl 4-methylbenzoate
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/C21H18N2O5S/c1-3-27-17-11-13(10-15-18(24)22-21(29)23-19(15)25)6-9-16(17)28-20(26)14-7-4-12(2)5-8-14/h4-11H,3H2,1-2H3,(H2,22,23,24,25,29)
InChIKey TYTQUFRXZVEJIF-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3724
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/1008126; UBI_ID: UBI-003725
Temperature 318 °C