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BENZYL-2-ALPHA-O-METHYL-5-N-ACETYL-NEURAMINATE
SpectraBase Compound ID HqrE10mKAID
InChI InChI=1S/C19H27NO9/c1-11(22)20-15-13(23)8-19(27-2,29-17(15)16(25)14(24)9-21)18(26)28-10-12-6-4-3-5-7-12/h3-7,13-17,21,23-25H,8-10H2,1-2H3,(H,20,22)/t13-,14+,15+,16+,17+,19+/m0/s1
InChIKey MPGQQIQPSBMINN-DWYCWXKBSA-N
Mol Weight 413.42 g/mol
Molecular Formula C19H27NO9
Exact Mass 413.168581 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J1ec6bZdg46
Name BENZYL-2-ALPHA-O-METHYL-5-N-ACETYL-NEURAMINATE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H27NO9
InChI InChI=1S/C19H27NO9/c1-11(22)20-15-13(23)8-19(27-2,29-17(15)16(25)14(24)9-21)18(26)28-10-12-6-4-3-5-7-12/h3-7,13-17,21,23-25H,8-10H2,1-2H3,(H,20,22)/t13-,14+,15+,16+,17+,19+/m0/s1
InChIKey MPGQQIQPSBMINN-DWYCWXKBSA-N
Literature Reference Author A.BIANCO,M.BRUFANI,R.CIABATTI,C.MELCHIONI,V.PASQUALI
Literature Reference Citation MOLECULES_ONLINE,2,129(1998)
Literature Reference DOI 10.1007/s007830050068
Molecular Weight 413.425 g/mol
Solvent CD3OD
Source File Reference UWVN7375