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4-(4-(2-Naphthoxy)butylthio)-2-(1H)-pyrimidinone

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

4-(4-(2-Naphthoxy)butylthio)-2-(1H)-pyrimidinone
SpectraBase Compound ID DFk17qtf3b3
InChI InChI=1S/C18H18N2O2S/c21-18-19-10-9-17(20-18)23-12-4-3-11-22-16-8-7-14-5-1-2-6-15(14)13-16/h1-2,5-10,13H,3-4,11-12H2,(H,19,20,21)
InChIKey UNDRUUIZPBSMFT-UHFFFAOYSA-N
Mol Weight 326.41 g/mol
Molecular Formula C18H18N2O2S
Exact Mass 326.108899 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BkVWX7i715m
Name 4-(4-(2-Naphthoxy)butylthio)-2-(1H)-pyrimidinone
Comments Computed using HOSE algorithm
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Exact Mass 326.108899000 u
Formula C18H18N2O2S
InChI InChI=1S/C18H18N2O2S/c21-18-19-10-9-17(20-18)23-12-4-3-11-22-16-8-7-14-5-1-2-6-15(14)13-16/h1-2,5-10,13H,3-4,11-12H2,(H,19,20,21)
InChIKey UNDRUUIZPBSMFT-UHFFFAOYSA-N
Molecular Weight 326.414 g/mol
SMILES C1(N=C(C=CN1)SCCCCOC1=CC=C2C(=C1)C=CC=C2)=O