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2-(B-D-Glucopyranosyloxy)-3-methyl-but-2-enenitrile
SpectraBase Compound ID 7bHIzy30VEB
InChI InChI=1S/C11H17NO6/c1-5(2)6(3-12)17-11-10(16)9(15)8(14)7(4-13)18-11/h7-11,13-16H,4H2,1-2H3/t7-,8-,9+,10-,11-/m1/s1
InChIKey MYXHDFJISNKPJY-KAMPLNKDSA-N
Mol Weight 259.26 g/mol
Molecular Formula C11H17NO6
Exact Mass 259.105587 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4nhLgEOlunn
Name 2-(B-D-Glucopyranosyloxy)-3-methyl-but-2-enenitrile
CAS Registry Number 644-68-8
Comments DEUTERIATED AT C4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H17NO6
InChI InChI=1S/C11H17NO6/c1-5(2)6(3-12)17-11-10(16)9(15)8(14)7(4-13)18-11/h7-11,13-16H,4H2,1-2H3/t7-,8-,9+,10-,11-/m1/s1
InChIKey MYXHDFJISNKPJY-KAMPLNKDSA-N
Instrument Name Bruker HX-270
Literature Reference J.W. Jaroszewski, M.G. Ettlinger, Magn. Res. Chem. 25, 555 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CD3OD