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N-ACETYLNEURAMINIC-ACID*3-(PROPIONAMIDO)-PHENYLBORONIC-ACID;FREE
SpectraBase Compound ID 5txTozuL0iN
InChI InChI=1S/C11H19NO9.C9H12BNO3/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13;1-2-9(12)11-8-5-3-4-7(6-8)10(13)14/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19);3-6,13-14H,2H2,1H3,(H,11,12)/t5-,6+,7+,8+,9+,11-;/m0./s1
InChIKey ZXOABFWNTLXJCU-BKSOAOGQSA-N
Mol Weight 502.28 g/mol
Molecular Formula C20H31BN2O12
Exact Mass 502.197005 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BH5rVx4ghCT
Name N-ACETYLNEURAMINIC-ACID*3-(PROPIONAMIDO)-PHENYLBORONIC-ACID;FREE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H31BN2O12
InChI InChI=1S/C11H19NO9.C9H12BNO3/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13;1-2-9(12)11-8-5-3-4-7(6-8)10(13)14/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19);3-6,13-14H,2H2,1H3,(H,11,12)/t5-,6+,7+,8+,9+,11-;/m0./s1
InChIKey ZXOABFWNTLXJCU-BKSOAOGQSA-N
Literature Reference Author H.OTSUKA,E.UCHIMURA,H.KOSHINO,T.OKANO,K.KATAOKA
Literature Reference Citation J.AM.CHEM.SOC.,125,3493(2003)
Literature Reference DOI 10.1021/ja021303r
Solvent DMSO-D6
Source File Reference UWSI30239