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(1R,2'R,5'R,1''R)-1-{5'-[1''-(methoxymethoxy)tridecyl]tetrahydrofuran-2-yl}ethane-1,2-diol
SpectraBase Compound ID 2AVxtQR3E6Z
InChI InChI=1S/C21H42O5/c1-3-4-5-6-7-8-9-10-11-12-13-20(25-17-24-2)21-15-14-19(26-21)18(23)16-22/h18-23H,3-17H2,1-2H3/t18-,19-,20-,21-/m1/s1
InChIKey SIMRPSQNMKIRPV-XRXFAXGQSA-N
Mol Weight 374.6 g/mol
Molecular Formula C21H42O5
Exact Mass 374.303224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B0bFu1kL3Jt
Name (1R,2'R,5'R,1''R)-1-{5'-[1''-(methoxymethoxy)tridecyl]tetrahydrofuran-2-yl}ethane-1,2-diol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.303224447 u
Formula C21H42O5
InChI InChI=1S/C21H42O5/c1-3-4-5-6-7-8-9-10-11-12-13-20(25-17-24-2)21-15-14-19(26-21)18(23)16-22/h18-23H,3-17H2,1-2H3/t18-,19-,20-,21-/m1/s1
InChIKey SIMRPSQNMKIRPV-XRXFAXGQSA-N
Molecular Weight 374.562 g/mol
SMILES [C@@]1(O[C@](CC1)([C@](OCOC)(CCCCCCCCCCCC)[H])[H])([C@](O)(CO)[H])[H]