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(2R,3R,4R,5S)-6-octoxyhexane-1,2,3,4,5-pentol
SpectraBase Compound ID GCVpcfaPF7e
InChI InChI=1S/C14H30O6/c1-2-3-4-5-6-7-8-20-10-12(17)14(19)13(18)11(16)9-15/h11-19H,2-10H2,1H3/t11-,12+,13-,14-/m1/s1
InChIKey MMFWVBGUZRYZJB-XJFOESAGSA-N
Mol Weight 294.39 g/mol
Molecular Formula C14H30O6
Exact Mass 294.204239 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5xKSwuY0KO7
Name (2R,3R,4R,5S)-6-Octoxyhexane-1,2,3,4,5-pentol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.204238680 u
Formula C14H30O6
InChI InChI=1S/C14H30O6/c1-2-3-4-5-6-7-8-20-10-12(17)14(19)13(18)11(16)9-15/h11-19H,2-10H2,1H3/t11-,12+,13-,14-/m1/s1
InChIKey MMFWVBGUZRYZJB-XJFOESAGSA-N
Molecular Weight 294.388 g/mol
SMILES [C@@]([C@@]([C@](O)(CO)[H])(O)[H])([C@@](O)(COCCCCCCCC)[H])(O)[H]