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7-Benzyl-6-(phenylthioethyl)-7H-purine

View entire compound with spectra: 1 NMR, and 2 MS (GC)

7-Benzyl-6-(phenylthioethyl)-7H-purine
SpectraBase Compound ID 8nN0RFkSoCy
InChI InChI=1S/C20H18N4S/c1-3-7-16(8-4-1)13-24-15-23-20-19(24)18(21-14-22-20)11-12-25-17-9-5-2-6-10-17/h1-10,14-15H,11-13H2
InChIKey WRKFMVHRKNQFTC-UHFFFAOYSA-N
Mol Weight 346.45 g/mol
Molecular Formula C20H18N4S
Exact Mass 346.125218 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BZLyFpU9sks
Name 7-Benzyl-6-(phenylthioethyl)-7H-purine
Comments Computed using HOSE algorithm
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Exact Mass 346.125217770 u
Formula C20H18N4S
InChI InChI=1S/C20H18N4S/c1-3-7-16(8-4-1)13-24-15-23-20-19(24)18(21-14-22-20)11-12-25-17-9-5-2-6-10-17/h1-10,14-15H,11-13H2
InChIKey WRKFMVHRKNQFTC-UHFFFAOYSA-N
Molecular Weight 346.452 g/mol
Nominal Mass 346 u
SMILES C=12N(C=NC2=NC=NC1CCSC=1C=CC=CC1)CC=1C=CC=CC1