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Methyl 3,3,4,4-tetraphenylbutanoate

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

Methyl 3,3,4,4-tetraphenylbutanoate
SpectraBase Compound ID Lc9Tm2MAoaU
InChI InChI=1S/C29H26O2/c1-31-27(30)22-29(25-18-10-4-11-19-25,26-20-12-5-13-21-26)28(23-14-6-2-7-15-23)24-16-8-3-9-17-24/h2-21,28H,22H2,1H3
InChIKey FPZXMRWPPFZYAU-UHFFFAOYSA-N
Mol Weight 406.53 g/mol
Molecular Formula C29H26O2
Exact Mass 406.19328 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AzEDTde764J
Name Methyl 3,3,4,4-tetraphenylbutanoate
Comments Computed using HOSE algorithm
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Exact Mass 406.193280075 u
Formula C29H26O2
InChI InChI=1S/C29H26O2/c1-31-27(30)22-29(25-18-10-4-11-19-25,26-20-12-5-13-21-26)28(23-14-6-2-7-15-23)24-16-8-3-9-17-24/h2-21,28H,22H2,1H3
InChIKey FPZXMRWPPFZYAU-UHFFFAOYSA-N
Molecular Weight 406.525 g/mol
SMILES C(C(C1=CC=CC=C1)C=1C=CC=CC1)(CC(=O)OC)(C1=CC=CC=C1)C=1C=CC=CC1