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o-(2-Hydroxyethyl)-1-myo-inositol-phosphate
SpectraBase Compound ID LCoWdmmKoH9
InChI InChI=1S/C8H17O10P/c9-1-2-17-19(15,16)18-8-6(13)4(11)3(10)5(12)7(8)14/h3-14H,1-2H2,(H,15,16)/t3-,4-,5+,6-,7-,8-/m1/s1
InChIKey QDIOVVWKQZZEQW-YAQXLYFDSA-N
Mol Weight 304.19 g/mol
Molecular Formula C8H17O10P
Exact Mass 304.055934 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2wWOYfhxGYS
Name o-(2-Hydroxyethyl)-1-myo-inositol-phosphate
Comments Computed using HOSE algorithm
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Exact Mass 304.055933735 u
Formula C8H17O10P
InChI InChI=1S/C8H17O10P/c9-1-2-17-19(15,16)18-8-6(13)4(11)3(10)5(12)7(8)14/h3-14H,1-2H2,(H,15,16)/t3-,4-,5+,6-,7-,8-/m1/s1
InChIKey QDIOVVWKQZZEQW-YAQXLYFDSA-N
Molecular Weight 304.188 g/mol
Nominal Mass 304 u
SMILES [C@@]1(O)([C@@](O)([C@]([C@](O)([C@@](O)([C@@]1(O)[H])[H])[H])(OP(=O)(O)OCCO)[H])[H])[H]