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1,3-Dioxolane, 4-[[(2-butoxy-4-hexadecenyl)oxy]methyl]-2,2-dimethyl-
SpectraBase Compound ID IFXKBzPdYfb
InChI InChI=1S/C26H50O4/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-24(28-20-8-6-2)21-27-22-25-23-29-26(3,4)30-25/h17-18,24-25H,5-16,19-23H2,1-4H3/b18-17+
InChIKey YGQUYERRKDPHMM-ISLYRVAYSA-N
Mol Weight 426.7 g/mol
Molecular Formula C26H50O4
Exact Mass 426.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FkNXZXsSXRs
Name 1,3-Dioxolane, 4-[[(2-butoxy-4-hexadecenyl)oxy]methyl]-2,2-dimethyl-
Comments Computed using HOSE algorithm
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Exact Mass 426.370910086 u
Formula C26H50O4
InChI InChI=1S/C26H50O4/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-24(28-20-8-6-2)21-27-22-25-23-29-26(3,4)30-25/h17-18,24-25H,5-16,19-23H2,1-4H3/b18-17+
InChIKey YGQUYERRKDPHMM-ISLYRVAYSA-N
Molecular Weight 426.682 g/mol
SMILES C1C(COCC(C\C=C\CCCCCCCCCCC)OCCCC)OC(O1)(C)C