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{2-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}acetonitrile
SpectraBase Compound ID IxZ580nVNRs
InChI InChI=1S/C13H9N3O3S/c14-5-6-19-10-4-2-1-3-8(10)7-9-11(17)15-13(20)16-12(9)18/h1-4,7H,6H2,(H2,15,16,17,18,20)
InChIKey PLYIXIZKYJMWIH-UHFFFAOYSA-N
Mol Weight 287.29 g/mol
Molecular Formula C13H9N3O3S
Exact Mass 287.036462 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 14FSMHvVDZu
Name {2-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenoxy}acetonitrile
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/C13H9N3O3S/c14-5-6-19-10-4-2-1-3-8(10)7-9-11(17)15-13(20)16-12(9)18/h1-4,7H,6H2,(H2,15,16,17,18,20)
InChIKey PLYIXIZKYJMWIH-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_15288
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/6204822; UBI_ID: UBI-015291
Temperature 308 °C