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4,6(1H,5H)-pyrimidinedione, dihydro-1-(3-methoxyphenyl)-5-(3-thienylmethylene)-2-thioxo-, (5E)-

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4,6(1H,5H)-pyrimidinedione, dihydro-1-(3-methoxyphenyl)-5-(3-thienylmethylene)-2-thioxo-, (5E)-
SpectraBase Compound ID 8nrBL7k7kii
InChI InChI=1S/C16H12N2O3S2/c1-21-12-4-2-3-11(8-12)18-15(20)13(14(19)17-16(18)22)7-10-5-6-23-9-10/h2-9H,1H3,(H,17,19,22)/b13-7+
InChIKey CCBYUPOQLAOTOH-NTUHNPAUSA-N
Mol Weight 344.4 g/mol
Molecular Formula C16H12N2O3S2
Exact Mass 344.028935 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6C8cF3qBfJv
Name 4,6(1H,5H)-pyrimidinedione, dihydro-1-(3-methoxyphenyl)-5-(3-thienylmethylene)-2-thioxo-, (5E)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 344.028934599 u
Formula C16H12N2O3S2
InChI InChI=1S/C16H12N2O3S2/c1-21-12-4-2-3-11(8-12)18-15(20)13(14(19)17-16(18)22)7-10-5-6-23-9-10/h2-9H,1H3,(H,17,19,22)/b13-7+
InChIKey CCBYUPOQLAOTOH-NTUHNPAUSA-N
Molecular Weight 344.403 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6478
Solvent DMSO-d6
Source Vendor ID: NMR/9253486; Lab Info: LP; Lab Number: LP-0020126