For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2,4-dinitrophenyl 1-seleno-beta-D-glucopyranoside, tetraacetate

View entire compound with spectra: 2 NMR, and 1 FTIR

2,4-dinitrophenyl 1-seleno-beta-D-glucopyranoside, tetraacetate
SpectraBase Compound ID Bg2Sst3E6M4
InChI InChI=1S/C20H22N2O13Se/c1-9(23)31-8-15-17(32-10(2)24)18(33-11(3)25)19(34-12(4)26)20(35-15)36-16-6-5-13(21(27)28)7-14(16)22(29)30/h5-7,15,17-20H,8H2,1-4H3/t15-,17-,18+,19-,20+/m1/s1
InChIKey AAXOFSZHSNTIEP-PKOFMYQESA-N
Mol Weight 577.37 g/mol
Molecular Formula C20H22N2O13Se
Exact Mass 578.028711 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID EiAsCv6rqES
Name 2,4-Dinitrophenyl 1-seleno-beta-D-glucopyranoside, tetraacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 578.028710763 u
Formula C20H22N2O13Se
InChI InChI=1S/C20H22N2O13Se/c1-9(23)31-8-15-17(32-10(2)24)18(33-11(3)25)19(34-12(4)26)20(35-15)36-16-6-5-13(21(27)28)7-14(16)22(29)30/h5-7,15,17-20H,8H2,1-4H3/t15-,17-,18+,19-,20+/m1/s1
InChIKey AAXOFSZHSNTIEP-PKOFMYQESA-N
Molecular Weight 577.369 g/mol
SMILES N(=O)(=O)C1=CC(=C(C=C1)[Se][C@@]1(O[C@@]([C@]([C@@]([C@]1(OC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])(COC(=O)C)[H])[H])N(=O)=O