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Methyl 2-[2-oxobutyl-4-(4'-methoxyphenyl)]benzoate isomer

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Methyl 2-[2-oxobutyl-4-(4'-methoxyphenyl)]benzoate isomer
SpectraBase Compound ID BerVWPfv8SZ
InChI InChI=1S/C19H20O4/c1-22-17-11-8-14(9-12-17)7-10-16(20)13-15-5-3-4-6-18(15)19(21)23-2/h3-6,8-9,11-12H,7,10,13H2,1-2H3
InChIKey GYYPUZHCTDQFCY-UHFFFAOYSA-N
Mol Weight 312.37 g/mol
Molecular Formula C19H20O4
Exact Mass 312.136159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EN3Whmtvi1C
Name Methyl 2-[2-oxobutyl-4-(4'-methoxyphenyl)]benzoate isomer
Comments Computed using HOSE algorithm
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Exact Mass 312.136159120 u
Formula C19H20O4
InChI InChI=1S/C19H20O4/c1-22-17-11-8-14(9-12-17)7-10-16(20)13-15-5-3-4-6-18(15)19(21)23-2/h3-6,8-9,11-12H,7,10,13H2,1-2H3
InChIKey GYYPUZHCTDQFCY-UHFFFAOYSA-N
Molecular Weight 312.365 g/mol
SMILES C(C=1C(CC(=O)CCC2=CC=C(C=C2)OC)=CC=CC1)(=O)OC