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Phenyl 2-azido-3,4,6-tri-o-acetyl-2-deoxy-1-selenogalactopyranoside
SpectraBase Compound ID EQYfg22iLSF
InChI InChI=1S/C18H21N3O7Se/c1-10(22)25-9-14-16(26-11(2)23)17(27-12(3)24)15(20-21-19)18(28-14)29-13-7-5-4-6-8-13/h4-8,14-18H,9H2,1-3H3/t14-,15-,16+,17-,18?/m1/s1
InChIKey SNFHHKWJGMICKN-IHAUNJBESA-N
Mol Weight 470.35 g/mol
Molecular Formula C18H21N3O7Se
Exact Mass 471.054472 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FqKcmwpx0ai
Name Phenyl 2-azido-3,4,6-tri-o-acetyl-2-deoxy-1-selenogalactopyranoside
Comments Computed using HOSE algorithm
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Exact Mass 471.054472021 u
Formula C18H21N3O7Se
InChI InChI=1S/C18H21N3O7Se/c1-10(22)25-9-14-16(26-11(2)23)17(27-12(3)24)15(20-21-19)18(28-14)29-13-7-5-4-6-8-13/h4-8,14-18H,9H2,1-3H3/t14-,15-,16+,17-,18?/m1/s1
InChIKey SNFHHKWJGMICKN-IHAUNJBESA-N
Molecular Weight 470.352 g/mol
SMILES [C@@]1([C@](C([Se]C=2C=CC=CC2)O[C@@]([C@@]1(OC(=O)C)[H])(COC(=O)C)[H])(N=[N+]=[N-])[H])(OC(=O)C)[H]