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5-Chloro-2-[3-(2-naphthoxy)propyl]-2-thiouracil

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

5-Chloro-2-[3-(2-naphthoxy)propyl]-2-thiouracil
SpectraBase Compound ID FBsvHUhlNC6
InChI InChI=1S/C17H15ClN2O2S/c18-15-11-19-17(20-16(15)21)23-9-3-8-22-14-7-6-12-4-1-2-5-13(12)10-14/h1-2,4-7,10-11H,3,8-9H2,(H,19,20,21)
InChIKey RFQLKNLXJJEFSE-UHFFFAOYSA-N
Mol Weight 346.83 g/mol
Molecular Formula C17H15ClN2O2S
Exact Mass 346.054277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CLSkRL0hywF
Name 5-Chloro-2-[3-(2-naphthoxy)propyl]-2-thiouracil
Comments Computed using HOSE algorithm
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Exact Mass 346.054276603 u
Formula C17H15ClN2O2S
InChI InChI=1S/C17H15ClN2O2S/c18-15-11-19-17(20-16(15)21)23-9-3-8-22-14-7-6-12-4-1-2-5-13(12)10-14/h1-2,4-7,10-11H,3,8-9H2,(H,19,20,21)
InChIKey RFQLKNLXJJEFSE-UHFFFAOYSA-N
Molecular Weight 346.832 g/mol
SMILES C1(=NC=C(C(N1)=O)Cl)SCCCOC1=CC=C2C(=C1)C=CC=C2