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D-Galactopyranoside, methyl 2-(acetylamino)-2-deoxy-1-thio-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

D-Galactopyranoside, methyl 2-(acetylamino)-2-deoxy-1-thio-
SpectraBase Compound ID FPHtsFU2sG2
InChI InChI=1S/C9H17NO5S/c1-4(12)10-6-8(14)7(13)5(3-11)15-9(6)16-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7+,8-,9?/m1/s1
InChIKey ABDLPUHGKIAHDK-LOFWALOHSA-N
Mol Weight 251.3 g/mol
Molecular Formula C9H17NO5S
Exact Mass 251.082744 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LxnhkRaZITb
Name D-Galactopyranoside, methyl 2-(acetylamino)-2-deoxy-1-thio-
Comments Computed using HOSE algorithm
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Exact Mass 251.082743820 u
Formula C9H17NO5S
InChI InChI=1S/C9H17NO5S/c1-4(12)10-6-8(14)7(13)5(3-11)15-9(6)16-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7+,8-,9?/m1/s1
InChIKey ABDLPUHGKIAHDK-LOFWALOHSA-N
Molecular Weight 251.297 g/mol
SMILES [C@@]1([C@]([C@@](O)([C@](OC1SC)(CO)[H])[H])(O)[H])(NC(=O)C)[H]