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N-Butyl 2,6-dideoxy.-3-o-(p-toluenesufonyl)-.beta.,dl-arabino-hexopyranoside
SpectraBase Compound ID i5VkeM0sZx
InChI InChI=1S/C17H26O6S/c1-4-5-10-21-16-11-15(17(18)13(3)22-16)23-24(19,20)14-8-6-12(2)7-9-14/h6-9,13,15-18H,4-5,10-11H2,1-3H3/t13-,15-,16-,17-/m0/s1
InChIKey LSQZJDWIVUYEMU-HJWJTTGWSA-N
Mol Weight 358.45 g/mol
Molecular Formula C17H26O6S
Exact Mass 358.14501 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A6ecQT5Ff35
Name N-Butyl 2,6-dideoxy.-3-o-(p-toluenesufonyl)-.beta.,dl-arabino-hexopyranoside
Comments Computed using HOSE algorithm
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Exact Mass 358.145009725 u
Formula C17H26O6S
InChI InChI=1S/C17H26O6S/c1-4-5-10-21-16-11-15(17(18)13(3)22-16)23-24(19,20)14-8-6-12(2)7-9-14/h6-9,13,15-18H,4-5,10-11H2,1-3H3/t13-,15-,16-,17-/m0/s1
InChIKey LSQZJDWIVUYEMU-HJWJTTGWSA-N
Molecular Weight 358.449 g/mol
SMILES [C@@]1(OS(C=2C=CC(=CC2)C)(=O)=O)(C[C@@](OCCCC)(O[C@]([C@@]1(O)[H])(C)[H])[H])[H]