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N-ACETYL-BETA-NEURAMINIC-ACID-METHYLESTER

View entire compound with spectra: 2 NMR

N-ACETYL-BETA-NEURAMINIC-ACID-METHYLESTER
SpectraBase Compound ID DguaHzgLQFv
InChI InChI=1S/C12H21NO9/c1-5(15)13-8-6(16)3-12(20,11(19)21-2)22-10(8)9(18)7(17)4-14/h6-10,14,16-18,20H,3-4H2,1-2H3,(H,13,15)/t6-,7+,8+,9+,10+,12+/m0/s1
InChIKey BKZQMWNJESHHSA-MIDKXNQYSA-N
Mol Weight 323.3 g/mol
Molecular Formula C12H21NO9
Exact Mass 323.121631 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kz6fUjVDmVZ
Name METHYL-5-N-ACETYL-NEURAMINATE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H21NO9
InChI InChI=1S/C12H21NO9/c1-5(15)13-8-6(16)3-12(20,11(19)21-2)22-10(8)9(18)7(17)4-14/h6-10,14,16-18,20H,3-4H2,1-2H3,(H,13,15)/t6-,7+,8+,9+,10+,12+/m0/s1
InChIKey BKZQMWNJESHHSA-MIDKXNQYSA-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 323.300 g/mol
Solvent D2O
Source File Reference UWVN7369