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(4R,5S)-2,2-Dimethyl-4-hydroxymethyl-5-[(E)-dodec-1-enyl]-1,3-dioxane

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(4R,5S)-2,2-Dimethyl-4-hydroxymethyl-5-[(E)-dodec-1-enyl]-1,3-dioxane
SpectraBase Compound ID Gpse9Ewv3RI
InChI InChI=1S/C18H34O3/c1-4-5-6-7-8-9-10-11-12-13-14-16-17(15-19)21-18(2,3)20-16/h13-14,16-17,19H,4-12,15H2,1-3H3/b14-13+/t16-,17+/m1/s1
InChIKey DSICPAYPTUDSHX-KGWAOHPJSA-N
Mol Weight 298.5 g/mol
Molecular Formula C18H34O3
Exact Mass 298.250795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID r6Q17mrVLg
Name (4R,5S)-2,2-Dimethyl-4-hydroxymethyl-5-[(E)-dodec-1-enyl]-1,3-dioxane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.250794952 u
Formula C18H34O3
InChI InChI=1S/C18H34O3/c1-4-5-6-7-8-9-10-11-12-13-14-16-17(15-19)21-18(2,3)20-16/h13-14,16-17,19H,4-12,15H2,1-3H3/b14-13+/t16-,17+/m1/s1
InChIKey DSICPAYPTUDSHX-KGWAOHPJSA-N
SMILES C1(O[C@@](CO)([C@](O1)(\C=C\CCCCCCCCCC)[H])[H])(C)C