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4-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-methoxyphenyl 3-fluorobenzoate
SpectraBase Compound ID 4IIi0WhZC6q
InChI InChI=1S/C19H13FN2O5S/c1-26-15-8-10(7-13-16(23)21-19(28)22-17(13)24)5-6-14(15)27-18(25)11-3-2-4-12(20)9-11/h2-9H,1H3,(H2,21,22,23,24,28)
InChIKey XGSSOHAYWSDJHT-UHFFFAOYSA-N
Mol Weight 400.38 g/mol
Molecular Formula C19H13FN2O5S
Exact Mass 400.052921 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 72FDcNAEb5d
Name 4-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-methoxyphenyl 3-fluorobenzoate
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/C19H13FN2O5S/c1-26-15-8-10(7-13-16(23)21-19(28)22-17(13)24)5-6-14(15)27-18(25)11-3-2-4-12(20)9-11/h2-9H,1H3,(H2,21,22,23,24,28)
InChIKey XGSSOHAYWSDJHT-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_9750
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: 1002698; UBI_ID: UBI-009753
Temperature 308 °C