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Adenosine, N-(4-hydroxy-3-methylbutyl)-
SpectraBase Compound ID DRrvVCWeuWx
InChI InChI=1S/C15H23N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h6-9,11-12,15,21-24H,2-5H2,1H3,(H,16,17,18)
InChIKey DBVVQDGIJAUEAZ-UHFFFAOYSA-N
Mol Weight 353.38 g/mol
Molecular Formula C15H23N5O5
Exact Mass 353.169919 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EpFZ5BkKPJE
Name Adenosine, N-(4-hydroxy-3-methylbutyl)-
Comments Computed using HOSE algorithm
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Exact Mass 353.169918856 u
Formula C15H23N5O5
InChI InChI=1S/C15H23N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h6-9,11-12,15,21-24H,2-5H2,1H3,(H,16,17,18)
InChIKey DBVVQDGIJAUEAZ-UHFFFAOYSA-N
Molecular Weight 353.379 g/mol
SMILES [C@@]1(O)([C@](N2C3=C(C(NCCC(CO)C)=NC=N3)N=C2)(O[C@@]([C@]1(O)[H])(CO)[H])[H])[H]