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(+-)-Ethyl 5-octyl-2-oxo-4-(2-oxo-2-phenylethyl)-tetrahydro-3-furancarboxylate
SpectraBase Compound ID 6LLNIFKhhkA
InChI InChI=1S/C23H32O5/c1-3-5-6-7-8-12-15-20-18(16-19(24)17-13-10-9-11-14-17)21(23(26)28-20)22(25)27-4-2/h9-11,13-14,18,20-21H,3-8,12,15-16H2,1-2H3
InChIKey ALDMKZOZIBQYQG-UHFFFAOYSA-N
Mol Weight 388.5 g/mol
Molecular Formula C23H32O5
Exact Mass 388.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GTQE9VsfD7y
Name (+-)-ethyl 5-octyl-2-oxo-4-(2-oxo-2-phenylethyl)-tetrahydro-3-furancarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 388.224974125 u
Formula C23H32O5
InChI InChI=1S/C23H32O5/c1-3-5-6-7-8-12-15-20-18(16-19(24)17-13-10-9-11-14-17)21(23(26)28-20)22(25)27-4-2/h9-11,13-14,18,20-21H,3-8,12,15-16H2,1-2H3
InChIKey ALDMKZOZIBQYQG-UHFFFAOYSA-N
Molecular Weight 388.504 g/mol
SMILES C1(OC(C(C1C(=O)OCC)CC(C=1C=CC=CC1)=O)CCCCCCCC)=O