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7,8,9,10-Tetrahydro-10-hydroxy-9-methyl-9-propyl[1,4]diazepino[1,2,3-g,h]purine Hydrobromide
SpectraBase Compound ID E4SnHSPoKvm
InChI InChI=1S/C12H17N5O/c1-3-4-12(2)5-6-16-8-15-10-9(16)11(17(12)18)14-7-13-10/h7-8,18H,3-6H2,1-2H3
InChIKey SBFRPFIESZBMFJ-UHFFFAOYSA-N
Mol Weight 247.3 g/mol
Molecular Formula C12H17N5O
Exact Mass 247.14331 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 53Bcy2wu4H6
Name 7,8,9,10-Tetrahydro-10-hydroxy-9-methyl-9-propyl[1,4]diazepino[1,2,3-G,H]purine hydrobromide
Comments Computed using HOSE algorithm
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Exact Mass 247.143310186 u
Formula C12H17N5O
InChI InChI=1S/C12H17N5O/c1-3-4-12(2)5-6-16-8-15-10-9(16)11(17(12)18)14-7-13-10/h7-8,18H,3-6H2,1-2H3
InChIKey SBFRPFIESZBMFJ-UHFFFAOYSA-N
Molecular Weight 247.302 g/mol
SMILES C12=C3N(C=NC3=NC=N1)CCC(N2O)(CCC)C