For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2-Methyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanenitrile, 4tms

View entire compound with spectra: 1 NMR

2-Methyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanenitrile, 4tms
SpectraBase Compound ID GiQdCLvL88D
InChI InChI=1S/C23H51NO6Si4/c1-17(15-24)18(2)26-23-22(30-34(12,13)14)21(29-33(9,10)11)20(28-32(6,7)8)19(27-23)16-25-31(3,4)5/h17-23H,16H2,1-14H3/t17?,18?,19-,20-,21+,22-,23-/m1/s1
InChIKey XEUNIPZNQQNKGO-YISAACIPSA-N
Mol Weight 550.0 g/mol
Molecular Formula C23H51NO6Si4
Exact Mass 549.279345 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 91rdJSHnp9F
Name 2-Methyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanenitrile, 4tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 549.279344500 u
Formula C23H51NO6Si4
InChI InChI=1S/C23H51NO6Si4/c1-17(15-24)18(2)26-23-22(30-34(12,13)14)21(29-33(9,10)11)20(28-32(6,7)8)19(27-23)16-25-31(3,4)5/h17-23H,16H2,1-14H3/t17?,18?,19-,20-,21+,22-,23-/m1/s1
InChIKey XEUNIPZNQQNKGO-YISAACIPSA-N
Molecular Weight 550.002 g/mol
SMILES C(C)(C(C)C#N)O[C@@]1(O[C@@]([C@]([C@@]([C@]1(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(CO[Si](C)(C)C)[H])[H]