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.beta.,.beta.,.Gamma.-triphenyl-benzenepropanol acetate

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

.beta.,.beta.,.Gamma.-triphenyl-benzenepropanol acetate
SpectraBase Compound ID 5Jzhdumkylu
InChI InChI=1S/C29H26O2/c1-23(30)31-22-29(26-18-10-4-11-19-26,27-20-12-5-13-21-27)28(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h2-21,28H,22H2,1H3
InChIKey OETCEDUZQRRBDS-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 7XwQZNct3Zl
Name .beta.,.beta.,.Gamma.-triphenyl-benzenepropanol acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 406.193280075 u
Formula C29H26O2
InChI InChI=1S/C29H26O2/c1-23(30)31-22-29(26-18-10-4-11-19-26,27-20-12-5-13-21-27)28(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h2-21,28H,22H2,1H3
InChIKey OETCEDUZQRRBDS-UHFFFAOYSA-N
Molecular Weight 406.525 g/mol
SMILES C(C(C=1C=CC=CC1)C=1C=CC=CC1)(COC(=O)C)(C=1C=CC=CC1)C1=CC=CC=C1