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Pyrimidin-4-ol, 2-(2-chlorobenzylthio)-6-methyl-5-propyl-

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

Pyrimidin-4-ol, 2-(2-chlorobenzylthio)-6-methyl-5-propyl-
SpectraBase Compound ID 3pDjZRLHrMr
InChI InChI=1S/C15H17ClN2OS/c1-3-6-12-10(2)17-15(18-14(12)19)20-9-11-7-4-5-8-13(11)16/h4-5,7-8H,3,6,9H2,1-2H3,(H,17,18,19)
InChIKey HJKTVTDSGDJTMS-UHFFFAOYSA-N
Mol Weight 308.83 g/mol
Molecular Formula C15H17ClN2OS
Exact Mass 308.075012 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gnh0PTxjf4P
Name Pyrimidin-4-ol, 2-(2-chlorobenzylthio)-6-methyl-5-propyl-
Comments Computed using HOSE algorithm
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Exact Mass 308.075012048 u
Formula C15H17ClN2OS
InChI InChI=1S/C15H17ClN2OS/c1-3-6-12-10(2)17-15(18-14(12)19)20-9-11-7-4-5-8-13(11)16/h4-5,7-8H,3,6,9H2,1-2H3,(H,17,18,19)
InChIKey HJKTVTDSGDJTMS-UHFFFAOYSA-N
Molecular Weight 308.827 g/mol
SMILES C1=CC=C(C(=C1)Cl)CSC=1N=C(C(CCC)=C(C)N1)O