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Isopropyl 1-seleno-beta-D-glucopyranoside, tetraacetate
SpectraBase Compound ID 8y89fin7GRA
InChI InChI=1S/C17H26O9Se/c1-8(2)27-17-16(25-12(6)21)15(24-11(5)20)14(23-10(4)19)13(26-17)7-22-9(3)18/h8,13-17H,7H2,1-6H3/t13-,14-,15+,16-,17+/m1/s1
InChIKey CBFPRYRGRXLGHX-UUAJXVIYSA-N
Mol Weight 453.36 g/mol
Molecular Formula C17H26O9Se
Exact Mass 454.074204 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KzfU3V4Py75
Name Isopropyl 1-seleno-beta-D-glucopyranoside, tetraacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 454.074204408 u
Formula C17H26O9Se
InChI InChI=1S/C17H26O9Se/c1-8(2)27-17-16(25-12(6)21)15(24-11(5)20)14(23-10(4)19)13(26-17)7-22-9(3)18/h8,13-17H,7H2,1-6H3/t13-,14-,15+,16-,17+/m1/s1
InChIKey CBFPRYRGRXLGHX-UUAJXVIYSA-N
Molecular Weight 453.358 g/mol
SMILES [C@@]1(O[C@@]([C@]([C@@]([C@]1(OC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])(COC(=O)C)[H])([Se]C(C)C)[H]