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Acetamide, 2-(1H-purin-6-ylthio)-N-[(tetrahydro-2-furanyl)methyl]-
SpectraBase Compound ID 7zhCIPJBsL3
InChI InChI=1S/C12H15N5O2S/c18-9(13-4-8-2-1-3-19-8)5-20-12-10-11(15-6-14-10)16-7-17-12/h6-8H,1-5H2,(H,13,18)(H,14,15,16,17)
InChIKey QCRPPQJGYVXDPC-UHFFFAOYSA-N
Mol Weight 293.34 g/mol
Molecular Formula C12H15N5O2S
Exact Mass 293.094646 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FUqDp1P7eBO
Name Acetamide, 2-(1H-purin-6-ylthio)-N-[(tetrahydro-2-furanyl)methyl]-
Comments Computed using HOSE algorithm
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Exact Mass 293.094645915 u
Formula C12H15N5O2S
InChI InChI=1S/C12H15N5O2S/c18-9(13-4-8-2-1-3-19-8)5-20-12-10-11(15-6-14-10)16-7-17-12/h6-8H,1-5H2,(H,13,18)(H,14,15,16,17)
InChIKey QCRPPQJGYVXDPC-UHFFFAOYSA-N
Molecular Weight 293.345 g/mol
SMILES C12=C(NC=N2)N=CN=C1SCC(NCC1CCCO1)=O