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(2S*,3S*)-3-[(2E)-3,7-Dimethyl-2,6-octadienyl]-1,2,4-butanetriol

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(2S*,3S*)-3-[(2E)-3,7-Dimethyl-2,6-octadienyl]-1,2,4-butanetriol
SpectraBase Compound ID KXK29cKPzu2
InChI InChI=1S/C14H26O3/c1-11(2)5-4-6-12(3)7-8-13(9-15)14(17)10-16/h5,7,13-17H,4,6,8-10H2,1-3H3/b12-7+/t13-,14+/m0/s1
InChIKey FQDTVJHVHKOGIO-NAICIEFVSA-N
Mol Weight 242.36 g/mol
Molecular Formula C14H26O3
Exact Mass 242.188195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID k88b0oNFvt
Name (2S*,3S*)-3-[(2E)-3,7-Dimethyl-2,6-octadienyl]-1,2,4-butanetriol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.188194694 u
Formula C14H26O3
InChI InChI=1S/C14H26O3/c1-11(2)5-4-6-12(3)7-8-13(9-15)14(17)10-16/h5,7,13-17H,4,6,8-10H2,1-3H3/b12-7+/t13-,14+/m0/s1
InChIKey FQDTVJHVHKOGIO-NAICIEFVSA-N
Molecular Weight 242.359 g/mol
SMILES C(\C=C\(CCC=C(C)C)C)[C@]([C@](O)(CO)[H])(CO)[H]