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[4-(2-phenylethynyl)phenyl] 2,2-dimethylpropanoate
SpectraBase Compound ID 2pgL3QbKiq9
InChI InChI=1S/C19H18O2/c1-19(2,3)18(20)21-17-13-11-16(12-14-17)10-9-15-7-5-4-6-8-15/h4-8,11-14H,1-3H3
InChIKey KXNMAWASLJOWQS-UHFFFAOYSA-N
Mol Weight 278.35 g/mol
Molecular Formula C19H18O2
Exact Mass 278.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HW6r164E1Mr
Name [4-(2-phenylethynyl)phenyl] 2,2-dimethylpropanoate
Appearance Off-white solid
Carrier Gas Helium
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Exact Mass 278.130679818 u
Formula C19H18O2
InChI InChI=1S/C19H18O2/c1-19(2,3)18(20)21-17-13-11-16(12-14-17)10-9-15-7-5-4-6-8-15/h4-8,11-14H,1-3H3
InChIKey KXNMAWASLJOWQS-UHFFFAOYSA-N
Instrument Name Agilent HP-5890-5973
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800651
Molecular Weight 278.351 g/mol
Quality 13
Reported Formula C19H18O2
SMILES C(#CC1=CC=CC=C1)C1=CC=C(OC(=O)C(C)(C)C)C=C1
SPLASH splash10-0006-0910000000-59a53bc8f4fc19990c73
Source of Spectrum K1-2018-SM17-3o (DOI: 10.1002/ejoc.201800651)
Wiley ID 1894298