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Methyl N-acetyl.beta.-D-neuraminate

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Methyl N-acetyl.beta.-D-neuraminate
SpectraBase Compound ID 3PCN04pb4c2
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-MBIHAQKRSA-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 ADeiMT9lmIl
Name Methyl N-acetyl.beta.-D-neuraminate
CAS Registry Number 22900-11-4
Comments M.F.CZARNIECKI,E.R.THORNTON,J.AMER.CHEM.S
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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-MBIHAQKRSA-N
Instrument Name Jeol PFT-100
Literature Reference M.F. Czarniecki, E.R. Thornton, J. Am. Chem. Soc. 99, 8273 (1977).
NMR Standard Acetone
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O