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D-Glucose, 5,6-o-(phenylmethylene)-, diethyl mercaptal, (S)-
SpectraBase Compound ID rv2JZIu2Po
InChI InChI=1S/C17H26O5S2/c1-3-23-17(24-4-2)15(20)14(19)13(18)12-10-21-16(22-12)11-8-6-5-7-9-11/h5-9,12-20H,3-4,10H2,1-2H3/t12-,13-,14+,15-,16+/m1/s1
InChIKey YHDCNZGHNMSXQU-LJIZCISZSA-N
Mol Weight 374.51 g/mol
Molecular Formula C17H26O5S2
Exact Mass 374.122166 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3vqpqqT78B1
Name D-Glucose, 5,6-o-(phenylmethylene)-, diethyl mercaptal, (S)-
Comments Computed using HOSE algorithm
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Exact Mass 374.122166280 u
Formula C17H26O5S2
InChI InChI=1S/C17H26O5S2/c1-3-23-17(24-4-2)15(20)14(19)13(18)12-10-21-16(22-12)11-8-6-5-7-9-11/h5-9,12-20H,3-4,10H2,1-2H3/t12-,13-,14+,15-,16+/m1/s1
InChIKey YHDCNZGHNMSXQU-LJIZCISZSA-N
Molecular Weight 374.510 g/mol
SMILES [C@]([C@](C(SCC)SCC)(O)[H])([C@@]([C@@]1(O[C@@](C=2C=CC=CC2)(OC1)[H])[H])(O)[H])(O)[H]