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BENZYL-2-ALPHA-O-METHYL-5-N-ACETYL-8,9-O-ISOPROPYLIDENE-NEURAMINATE
SpectraBase Compound ID 2SRBCRqMFSs
InChI InChI=1S/C22H31NO9/c1-13(24)23-17-15(25)10-22(28-4,20(27)29-11-14-8-6-5-7-9-14)32-19(17)18(26)16-12-30-21(2,3)31-16/h5-9,15-19,25-26H,10-12H2,1-4H3,(H,23,24)/t15-,16-,17+,18+,19+,22+/m0/s1
InChIKey HMUTXTCTZUWVPB-QOYPIPAGSA-N
Mol Weight 453.49 g/mol
Molecular Formula C22H31NO9
Exact Mass 453.199882 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A1wIEa8FK20
Name BENZYL-2-ALPHA-O-METHYL-5-N-ACETYL-8,9-O-ISOPROPYLIDENE-NEURAMINATE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H31NO9
InChI InChI=1S/C22H31NO9/c1-13(24)23-17-15(25)10-22(28-4,20(27)29-11-14-8-6-5-7-9-14)32-19(17)18(26)16-12-30-21(2,3)31-16/h5-9,15-19,25-26H,10-12H2,1-4H3,(H,23,24)/t15-,16-,17+,18+,19+,22+/m0/s1
InChIKey HMUTXTCTZUWVPB-QOYPIPAGSA-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 453.489 g/mol
Solvent CD3OD
Source File Reference UWVN7376