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5-(3,5-ditert-butyl-4-hydroxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

View entire compound with spectra: 2 NMR

5-(3,5-ditert-butyl-4-hydroxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID FUV4d2Fie56
InChI InChI=1S/C19H24N2O3S/c1-18(2,3)12-8-10(9-13(14(12)22)19(4,5)6)7-11-15(23)20-17(25)21-16(11)24/h7-9,22H,1-6H3,(H2,20,21,23,24,25)
InChIKey NMYXWYUOOVSKIF-UHFFFAOYSA-N
Mol Weight 360.47 g/mol
Molecular Formula C19H24N2O3S
Exact Mass 360.150764 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DJ32u0VHubT
Name 5-(3,5-Ditert-butyl-4-hydroxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.150763812 u
Formula C19H24N2O3S
InChI InChI=1S/C19H24N2O3S/c1-18(2,3)12-8-10(9-13(14(12)22)19(4,5)6)7-11-15(23)20-17(25)21-16(11)24/h7-9,22H,1-6H3,(H2,20,21,23,24,25)
InChIKey NMYXWYUOOVSKIF-UHFFFAOYSA-N
Molecular Weight 360.472 g/mol
SMILES N1C(NC(C(=CC=2C=C(C(=C(C2)C(C)(C)C)O)C(C)(C)C)C1=O)=O)=S