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2-[D-Lyxo-D-manno-octahydroxyoctyl]benzimidazole

View entire compound with spectra: 1 NMR

2-[D-Lyxo-D-manno-octahydroxyoctyl]benzimidazole
SpectraBase Compound ID AGLuGlU0cYl
InChI InChI=1S/C15H22N2O8/c18-5-8(19)9(20)10(21)11(22)12(23)13(24)14(25)15-16-6-3-1-2-4-7(6)17-15/h1-4,8-14,18-25H,5H2,(H,16,17)
InChIKey DVPLPCSUPIEWBQ-UHFFFAOYSA-N
Mol Weight 358.35 g/mol
Molecular Formula C15H22N2O8
Exact Mass 358.137616 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HhpFQ41VqKi
Name 2-[D-Lyxo-D-manno-octahydroxyoctyl]benzimidazole
Comments Computed using HOSE algorithm
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Exact Mass 358.137615668 u
Formula C15H22N2O8
InChI InChI=1S/C15H22N2O8/c18-5-8(19)9(20)10(21)11(22)12(23)13(24)14(25)15-16-6-3-1-2-4-7(6)17-15/h1-4,8-14,18-25H,5H2,(H,16,17)
InChIKey DVPLPCSUPIEWBQ-UHFFFAOYSA-N
Molecular Weight 358.347 g/mol
SMILES C12=C(C=CC=C2)N=C(N1)C(C(C(C(C(C(C(CO)O)O)O)O)O)O)O