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2,4,6(1H,3H,5H)-pyrimidinetrione, 1-(3-methoxyphenyl)-5-[(5-nitro-2-thienyl)methylene]-, (5E)-
SpectraBase Compound ID CHV5NvapEyJ
InChI InChI=1S/C16H11N3O6S/c1-25-10-4-2-3-9(7-10)18-15(21)12(14(20)17-16(18)22)8-11-5-6-13(26-11)19(23)24/h2-8H,1H3,(H,17,20,22)/b12-8+
InChIKey UMWKECNWLQGLGP-XYOKQWHBSA-N
Mol Weight 373.34 g/mol
Molecular Formula C16H11N3O6S
Exact Mass 373.036856 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4iRCze4ZT0n
Name 2,4,6(1H,3H,5H)-pyrimidinetrione, 1-(3-methoxyphenyl)-5-[(5-nitro-2-thienyl)methylene]-, (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 373.036856254 u
Formula C16H11N3O6S
InChI InChI=1S/C16H11N3O6S/c1-25-10-4-2-3-9(7-10)18-15(21)12(14(20)17-16(18)22)8-11-5-6-13(26-11)19(23)24/h2-8H,1H3,(H,17,20,22)/b12-8+
InChIKey UMWKECNWLQGLGP-XYOKQWHBSA-N
Molecular Weight 373.339 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6218
Solvent DMSO-d6
Source Vendor ID: NMR/9301150; Lab Info: LP; Lab Number: LP-1701141