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4-Hydroxy-6-nonyl-3,5-dioctyl-2H-pyran-2-one

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

4-Hydroxy-6-nonyl-3,5-dioctyl-2H-pyran-2-one
SpectraBase Compound ID 8UVJlMoFcf2
InChI InChI=1S/C30H54O3/c1-4-7-10-13-16-19-22-25-28-26(23-20-17-14-11-8-5-2)29(31)27(30(32)33-28)24-21-18-15-12-9-6-3/h31H,4-25H2,1-3H3
InChIKey HVFMLZZXSGEKDG-UHFFFAOYSA-N
Mol Weight 462.8 g/mol
Molecular Formula C30H54O3
Exact Mass 462.407296 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fv75NNQwhRA
Name 4-Hydroxy-6-nonyl-3,5-dioctyl-2H-pyran-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 462.407295596 u
Formula C30H54O3
InChI InChI=1S/C30H54O3/c1-4-7-10-13-16-19-22-25-28-26(23-20-17-14-11-8-5-2)29(31)27(30(32)33-28)24-21-18-15-12-9-6-3/h31H,4-25H2,1-3H3
InChIKey HVFMLZZXSGEKDG-UHFFFAOYSA-N
Molecular Weight 462.759 g/mol
SMILES C1(C(=C(C(=C(O1)CCCCCCCCC)CCCCCCCC)O)CCCCCCCC)=O