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2-(Methylsulfanyl)ethyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

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2-(Methylsulfanyl)ethyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
SpectraBase Compound ID BolFwrtIWlZ
InChI InChI=1S/C16H18N2O5S/c1-9-13(15(19)21-5-6-24-2)14(18-16(20)17-9)10-3-4-11-12(7-10)23-8-22-11/h3-4,7,14H,5-6,8H2,1-2H3,(H2,17,18,20)
InChIKey UFCXGCJLXVFGDT-UHFFFAOYSA-N
Mol Weight 350.39 g/mol
Molecular Formula C16H18N2O5S
Exact Mass 350.093643 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8IolxfUTHY1
Name 2-(Methylsulfanyl)ethyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.093642857 u
Formula C16H18N2O5S
InChI InChI=1S/C16H18N2O5S/c1-9-13(15(19)21-5-6-24-2)14(18-16(20)17-9)10-3-4-11-12(7-10)23-8-22-11/h3-4,7,14H,5-6,8H2,1-2H3,(H2,17,18,20)
InChIKey UFCXGCJLXVFGDT-UHFFFAOYSA-N
Molecular Weight 350.389 g/mol
SMILES N1C(=C(C(NC1=O)C=1C=C2C(=CC1)OCO2)C(=O)OCCSC)C