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Benzeneacetonitrile, 4-methoxy-.alpha.-[(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl)ox y]-, (R)-
SpectraBase Compound ID 8APCxWNXz2b
InChI InChI=1S/C23H27NO11/c1-12(25)30-11-19-20(31-13(2)26)21(32-14(3)27)22(33-15(4)28)23(35-19)34-18(10-24)16-6-8-17(29-5)9-7-16/h6-9,18-23H,11H2,1-5H3/t18-,19+,20+,21-,22+,23+/m0/s1
InChIKey RCUKWVGVZVHVRN-JBAFQVTRSA-N
Mol Weight 493.47 g/mol
Molecular Formula C23H27NO11
Exact Mass 493.158411 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A5cEaWGAtME
Name Benzeneacetonitrile, 4-methoxy-.alpha.-[(2,3,4,6-tetra-o-acetyl-.beta.-D-glucopyranosyl)ox Y]-, (R)-
Comments Computed using HOSE algorithm
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Exact Mass 493.158410682 u
Formula C23H27NO11
InChI InChI=1S/C23H27NO11/c1-12(25)30-11-19-20(31-13(2)26)21(32-14(3)27)22(33-15(4)28)23(35-19)34-18(10-24)16-6-8-17(29-5)9-7-16/h6-9,18-23H,11H2,1-5H3/t18-,19+,20+,21-,22+,23+/m0/s1
InChIKey RCUKWVGVZVHVRN-JBAFQVTRSA-N
Molecular Weight 493.465 g/mol
SMILES [C@@]1([C@]([C@](OC(=O)C)([C@](O[C@]1(O[C@@](C#N)(C1=CC=C(C=C1)OC)[H])[H])(COC(=O)C)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H]