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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 1XZqNFcnHV0
Name N-ACETYL-BETA-NEURAMINIC-ACID-METHYLESTER
Compound Number 3 4
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 R.SARDZIK,G.T.NOBLE,M.J.WEISSENORN,A.MARTIN,S.J.WEBB,S.L.FLI TSCH
Literature Reference Citation BEIL.J.ORG.CHEM.,6,699(2010)
Literature Reference DOI 10.3762/bjoc.6.81
Molecular Weight 323.300 g/mol
Solvent D2O
Source File Reference UWBT10136