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Hexopyranoside, 2-(2-methylphenoxy)ethyl 1-thio-, tetraacetate

View entire compound with spectra: 2 NMR

Hexopyranoside, 2-(2-methylphenoxy)ethyl 1-thio-, tetraacetate
SpectraBase Compound ID 3uT0Ge9rtI2
InChI InChI=1S/C23H30O10S/c1-13-8-6-7-9-18(13)28-10-11-34-23-22(32-17(5)27)21(31-16(4)26)20(30-15(3)25)19(33-23)12-29-14(2)24/h6-9,19-23H,10-12H2,1-5H3
InChIKey LKOCTMAGJHLDOO-UHFFFAOYSA-N
Mol Weight 498.54 g/mol
Molecular Formula C23H30O10S
Exact Mass 498.155968 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KRaCzuRR8xc
Name Hexopyranoside, 2-(2-methylphenoxy)ethyl 1-thio-, tetraacetate
Comments Computed using HOSE algorithm
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Exact Mass 498.155968330 u
Formula C23H30O10S
InChI InChI=1S/C23H30O10S/c1-13-8-6-7-9-18(13)28-10-11-34-23-22(32-17(5)27)21(31-16(4)26)20(30-15(3)25)19(33-23)12-29-14(2)24/h6-9,19-23H,10-12H2,1-5H3
InChIKey LKOCTMAGJHLDOO-UHFFFAOYSA-N
Molecular Weight 498.543 g/mol
SMILES C1(C(C(SCCOC2=C(C)C=CC=C2)OC(C1OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C