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Dodecyl 2-((2-methoxyphenyl)ethynyl)benzoate

View entire compound with spectra: 1 MS (GC)

Dodecyl 2-((2-methoxyphenyl)ethynyl)benzoate
SpectraBase Compound ID COCCQgAnOGT
InChI InChI=1S/C28H36O3/c1-3-4-5-6-7-8-9-10-11-16-23-31-28(29)26-19-14-12-17-24(26)21-22-25-18-13-15-20-27(25)30-2/h12-15,17-20H,3-11,16,23H2,1-2H3
InChIKey XERWHKATMSMQSX-UHFFFAOYSA-N
Mol Weight 420.6 g/mol
Molecular Formula C28H36O3
Exact Mass 420.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 95VOn5IDdhM
Name Dodecyl 2-((2-methoxyphenyl)ethynyl)benzoate
Comments Less than 3 mono-isotopic peaks
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Formula C28H36O3
InChI InChI=1S/C28H36O3/c1-3-4-5-6-7-8-9-10-11-16-23-31-28(29)26-19-14-12-17-24(26)21-22-25-18-13-15-20-27(25)30-2/h12-15,17-20H,3-11,16,23H2,1-2H3
InChIKey XERWHKATMSMQSX-UHFFFAOYSA-N
Molecular Weight 420.593 g/mol
SMILES C(#Cc1c(OC)cccc1)c1c(C(=O)OCCCCCCCCCCCC)cccc1
SPLASH splash10-001i-0090000000-e92ec248b6cd403cfb46
Source of Spectrum F-65-1779-1e
Wiley ID 1681600