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2,2-Bis(3,4-Didecyloxybenzoylmethyl)-1,3-propanediol
SpectraBase Compound ID 1l3e52XH9sx
InChI InChI=1S/C59H104O8/c1-5-9-13-17-21-25-29-33-41-64-55-39-37-53(45-57(55)66-43-35-31-27-23-19-15-11-7-3)47-62-51-59(49-60,50-61)52-63-48-54-38-40-56(65-42-34-30-26-22-18-14-10-6-2)58(46-54)67-44-36-32-28-24-20-16-12-8-4/h37-40,45-46,60-61H,5-36,41-44,47-52H2,1-4H3
InChIKey DDNYGCPPIPIXRH-UHFFFAOYSA-N
Mol Weight 941.5 g/mol
Molecular Formula C59H104O8
Exact Mass 940.77312 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J85BHhIGCcX
Name 2,2-Bis(3,4-Didecyloxybenzoylmethyl)-1,3-propanediol
Alternate Name(s) 2,2-Bis(3,4-Didecyloxybenzyloxymethyl)-1,3-propanediol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C59H104O8
InChI InChI=1S/C59H104O8/c1-5-9-13-17-21-25-29-33-41-64-55-39-37-53(45-57(55)66-43-35-31-27-23-19-15-11-7-3)47-62-51-59(49-60,50-61)52-63-48-54-38-40-56(65-42-34-30-26-22-18-14-10-6-2)58(46-54)67-44-36-32-28-24-20-16-12-8-4/h37-40,45-46,60-61H,5-36,41-44,47-52H2,1-4H3
InChIKey DDNYGCPPIPIXRH-UHFFFAOYSA-N
Molecular Weight 941.473 g/mol
SMILES OCC(CO)(COCc1cc(OCCCCCCCCCC)c(cc1)OCCCCCCCCCC)COCc1cc(OCCCCCCCCCC)c(cc1)OCCCCCCCCCC
SPLASH splash10-000i-3540490000-63bd7568206c5fa032c8
Source of Spectrum QE-5-1657-7
Wiley ID 844221