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(rac)-(+-)-16,19-Bis(acetoxymethyl)[14]paracyclophane
SpectraBase Compound ID LrlDxVIE01r
InChI InChI=1S/C26H40O4/c1-21(27)29-19-25-17-24-16-14-12-10-8-6-4-3-5-7-9-11-13-15-23(25)18-26(24)20-30-22(2)28/h17-18H,3-16,19-20H2,1-2H3
InChIKey SSFBFJZMZBXHOZ-UHFFFAOYSA-N
Mol Weight 416.6 g/mol
Molecular Formula C26H40O4
Exact Mass 416.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3uYgp8oFTZp
Name (rac)-(+-)-16,19-Bis(acetoxymethyl)[14]paracyclophane
Alternate Name(s) Acetic acid [20-(acetyloxymethyl)-18-bicyclo[14.2.2]eicosa-1(19),16(20),17-trienyl]methyl ester [20-(acetyloxymethyl)-18-bicyclo[14.2.2]icosa-1(19),16(20),17-trienyl]methyl acetate [20-(acetoxymethyl)-18-bicyclo[14.2.2]icosa-1(19),16(20),17-trienyl]methyl acetate [20-(acetyloxymethyl)-18-bicyclo[14.2.2]icosa-1(19),16(20),17-trienyl]methyl ethanoate
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Formula C26H40O4
InChI InChI=1S/C26H40O4/c1-21(27)29-19-25-17-24-16-14-12-10-8-6-4-3-5-7-9-11-13-15-23(25)18-26(24)20-30-22(2)28/h17-18H,3-16,19-20H2,1-2H3
InChIKey SSFBFJZMZBXHOZ-UHFFFAOYSA-N
Molecular Weight 416.602 g/mol
SMILES c1(c2cc(c(c1)CCCCCCCCCCCCCC2)COC(=O)C)COC(=O)C
SPLASH splash10-052b-0096000000-20b7f846f5b8a7a886dc
Source of Spectrum F-68-2950-8
Wiley ID 1572282