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N-BENZOYL-D-NEURAMINIC-ACID

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N-BENZOYL-D-NEURAMINIC-ACID
SpectraBase Compound ID LWNoP6YHnd9
InChI InChI=1S/C16H21NO9/c18-7-10(20)12(21)13-11(9(19)6-16(25,26-13)15(23)24)17-14(22)8-4-2-1-3-5-8/h1-5,9-13,18-21,25H,6-7H2,(H,17,22)(H,23,24)/p-1/t9-,10+,11+,12+,13+,16-/m0/s1
InChIKey JDKDBDDELDLBHE-OTUMZKFCSA-M
Mol Weight 370.33 g/mol
Molecular Formula C16H20NO9
Exact Mass 370.113806 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2sNSofKKUtT
Name N-BENZOYL-D-NEURAMINIC-ACID
Compound Number 6D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H20NO9
InChI InChI=1S/C16H21NO9/c18-7-10(20)12(21)13-11(9(19)6-16(25,26-13)15(23)24)17-14(22)8-4-2-1-3-5-8/h1-5,9-13,18-21,25H,6-7H2,(H,17,22)(H,23,24)/p-1/t9-,10+,11+,12+,13+,16-/m0/s1
InChIKey JDKDBDDELDLBHE-OTUMZKFCSA-M
Literature Reference Author A.J.HUMPHREY,C.FREMANN,P.CRITCHLEY,Y.MALYKH,R.SCHAUER,T.D.H. BUGG
Literature Reference Citation BIOORG.MED.CHEM.,10,3175(2002)
Literature Reference DOI 10.1016/S0968-0896(02)00213-4
Molecular Weight 370.336 g/mol
Solvent D2O
Source File Reference UWSI24259