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1,2-diphenylethyl 4-(tert-butyl)benzoate
SpectraBase Compound ID K0cDrTO1Cet
InChI InChI=1S/C25H26O2/c1-25(2,3)22-16-14-21(15-17-22)24(26)27-23(20-12-8-5-9-13-20)18-19-10-6-4-7-11-19/h4-17,23H,18H2,1-3H3
InChIKey JXBWNMFGMFOZDL-UHFFFAOYSA-N
Mol Weight 358.48 g/mol
Molecular Formula C25H26O2
Exact Mass 358.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HxPqWFfAOma
Name 1,2-diphenylethyl 4-(tert-butyl)benzoate
Appearance Colorless solid
Carrier Gas Methane
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Exact Mass 358.193280075 u
Formula C25H26O2
InChI InChI=1S/C25H26O2/c1-25(2,3)22-16-14-21(15-17-22)24(26)27-23(20-12-8-5-9-13-20)18-19-10-6-4-7-11-19/h4-17,23H,18H2,1-3H3
InChIKey JXBWNMFGMFOZDL-UHFFFAOYSA-N
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/chem.202201761
Molecular Weight 358.481 g/mol
Quality 144
Reported Formula C25H26O2
SMILES C1(=CC=CC=C1)CC(C1=CC=CC=C1)OC(C1=CC=C(C=C1)C(C)(C)C)=O
SPLASH splash10-03dl-3900000000-2fbfc61b90cd22ff7872
Source of Spectrum QE-28-SM9-3c (DOI: 10.1002/chem.202201761)
Thin-Layer Chromatography 0.44 (n-pentane/EtOAc, 40:1)
Wiley ID 1900679