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2,5-Di-n-hexadecyl-1,4-benzenedicarboxylic acid
SpectraBase Compound ID CMKBPlRZRtD
InChI InChI=1S/C40H70O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-33-38(40(43)44)36(34-37(35)39(41)42)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34H,3-32H2,1-2H3,(H,41,42)(H,43,44)
InChIKey OSWWLKWLYNJEEB-UHFFFAOYSA-N
Mol Weight 615.0 g/mol
Molecular Formula C40H70O4
Exact Mass 614.527411 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID yuI82bAIYf
Name 2,5-Di-n-hexadecyl-1,4-benzenedicarboxylic acid
Comments Less than 3 mono-isotopic peaks
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Formula C40H70O4
InChI InChI=1S/C40H70O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-33-38(40(43)44)36(34-37(35)39(41)42)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34H,3-32H2,1-2H3,(H,41,42)(H,43,44)
InChIKey OSWWLKWLYNJEEB-UHFFFAOYSA-N
Molecular Weight 614.996 g/mol
SMILES OC(c1cc(c(C(=O)O)cc1CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)=O
SPLASH splash10-0229-0000098000-967dc19bb2f1e3212387
Source of Spectrum SO-0-387-5
Synonyms 2,5-dihexadecylterephthalic acid
Wiley ID 1540033