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5-{[4-(5-chloro-2-methylphenyl)-1-piperazinyl]sulfonyl}-6-methyl-2,4(1H,3H)-pyrimidinedione
SpectraBase Compound ID 1SGCWp62AoB
InChI InChI=1S/C16H19ClN4O4S/c1-10-3-4-12(17)9-13(10)20-5-7-21(8-6-20)26(24,25)14-11(2)18-16(23)19-15(14)22/h3-4,9H,5-8H2,1-2H3,(H2,18,19,22,23)
InChIKey KXQMKHZXFUPISW-UHFFFAOYSA-N
Mol Weight 398.87 g/mol
Molecular Formula C16H19ClN4O4S
Exact Mass 398.081554 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ETLle9RbNku
Name 5-{[4-(5-chloro-2-methylphenyl)-1-piperazinyl]sulfonyl}-6-methyl-2,4(1H,3H)-pyrimidinedione
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.081553978 u
Formula C16H19ClN4O4S
InChI InChI=1S/C16H19ClN4O4S/c1-10-3-4-12(17)9-13(10)20-5-7-21(8-6-20)26(24,25)14-11(2)18-16(23)19-15(14)22/h3-4,9H,5-8H2,1-2H3,(H2,18,19,22,23)
InChIKey KXQMKHZXFUPISW-UHFFFAOYSA-N
Molecular Weight 398.865 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_710
Solvent DMSO-d6
Source Vendor ID: NMR/12268697