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2,4(1H,3H)-pyrimidinedione, 5-[[(3,4-dimethylphenyl)thio]methyl]-6-methyl-
SpectraBase Compound ID Bwccs4YxYHb
InChI InChI=1S/C14H16N2O2S/c1-8-4-5-11(6-9(8)2)19-7-12-10(3)15-14(18)16-13(12)17/h4-6H,7H2,1-3H3,(H2,15,16,17,18)
InChIKey XZJVVNICVDCTRU-UHFFFAOYSA-N
Mol Weight 276.35 g/mol
Molecular Formula C14H16N2O2S
Exact Mass 276.093249 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DcOEi04gpHR
Name 2,4(1H,3H)-pyrimidinedione, 5-[[(3,4-dimethylphenyl)thio]methyl]-6-methyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.093248935 u
Formula C14H16N2O2S
InChI InChI=1S/C14H16N2O2S/c1-8-4-5-11(6-9(8)2)19-7-12-10(3)15-14(18)16-13(12)17/h4-6H,7H2,1-3H3,(H2,15,16,17,18)
InChIKey XZJVVNICVDCTRU-UHFFFAOYSA-N
Molecular Weight 276.354 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11102
Solvent DMSO-d6
Source Vendor ID: NMR/10251374; Lab Info: AI; Lab Number: AI-S001319
Temperature 23.85 °C