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4-[(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenyl 4-methoxybenzenesulfonate

View entire compound with spectra: 2 NMR

4-[(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenyl 4-methoxybenzenesulfonate
SpectraBase Compound ID 7PRWVfTSV4c
InChI InChI=1S/C18H14N2O7S/c1-26-12-6-8-14(9-7-12)28(24,25)27-13-4-2-11(3-5-13)10-15-16(21)19-18(23)20-17(15)22/h2-10H,1H3,(H2,19,20,21,22,23)
InChIKey KXDNDLKHXOGFOJ-UHFFFAOYSA-N
Mol Weight 402.38 g/mol
Molecular Formula C18H14N2O7S
Exact Mass 402.052172 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bflnbsiuh5a
Name 4-[(2,4,6-Trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]phenyl 4-methoxybenzenesulfonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.052171966 u
Formula C18H14N2O7S
InChI InChI=1S/C18H14N2O7S/c1-26-12-6-8-14(9-7-12)28(24,25)27-13-4-2-11(3-5-13)10-15-16(21)19-18(23)20-17(15)22/h2-10H,1H3,(H2,19,20,21,22,23)
InChIKey KXDNDLKHXOGFOJ-UHFFFAOYSA-N
Molecular Weight 402.377 g/mol
SMILES N1C(NC(C(C1=O)=CC1=CC=C(OS(C2=CC=C(C=C2)OC)(=O)=O)C=C1)=O)=O