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Pyrimidine-4,6-dione, hexahydro-5-(4-butoxy-3-methoxybenzylidene)-2-thioxo-

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Pyrimidine-4,6-dione, hexahydro-5-(4-butoxy-3-methoxybenzylidene)-2-thioxo-
SpectraBase Compound ID I7qEF8DXsqc
InChI InChI=1S/C16H18N2O4S/c1-3-4-7-22-12-6-5-10(9-13(12)21-2)8-11-14(19)17-16(23)18-15(11)20/h5-6,8-9H,3-4,7H2,1-2H3,(H2,17,18,19,20,23)
InChIKey CSHNVUOEWAZKLO-UHFFFAOYSA-N
Mol Weight 334.39 g/mol
Molecular Formula C16H18N2O4S
Exact Mass 334.098728 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AfV4WUvRRwG
Name Pyrimidine-4,6-dione, hexahydro-5-(4-butoxy-3-methoxybenzylidene)-2-thioxo-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.098728238 u
Formula C16H18N2O4S
InChI InChI=1S/C16H18N2O4S/c1-3-4-7-22-12-6-5-10(9-13(12)21-2)8-11-14(19)17-16(23)18-15(11)20/h5-6,8-9H,3-4,7H2,1-2H3,(H2,17,18,19,20,23)
InChIKey CSHNVUOEWAZKLO-UHFFFAOYSA-N
Molecular Weight 334.390 g/mol
SMILES C1(C(NC(NC1=O)=S)=O)=CC1=CC(OC)=C(OCCCC)C=C1