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2,2,6,6-Tetrabenzylcyclohexanone

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2,2,6,6-Tetrabenzylcyclohexanone
SpectraBase Compound ID 7NTQxu2LdE
InChI InChI=1S/C34H34O/c35-32-33(24-28-14-5-1-6-15-28,25-29-16-7-2-8-17-29)22-13-23-34(32,26-30-18-9-3-10-19-30)27-31-20-11-4-12-21-31/h1-12,14-21H,13,22-27H2
InChIKey ZCKDWJCGQRFMQW-UHFFFAOYSA-N
Mol Weight 458.6 g/mol
Molecular Formula C34H34O
Exact Mass 458.260966 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J51sD9oiCGD
Name 2,2,6,6-Tetrabenzylcyclohexanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 458.260965714 u
Formula C34H34O
InChI InChI=1S/C34H34O/c35-32-33(24-28-14-5-1-6-15-28,25-29-16-7-2-8-17-29)22-13-23-34(32,26-30-18-9-3-10-19-30)27-31-20-11-4-12-21-31/h1-12,14-21H,13,22-27H2
InChIKey ZCKDWJCGQRFMQW-UHFFFAOYSA-N
Molecular Weight 458.645 g/mol
SMILES C1(C(C(CC=2C=CC=CC2)(CC=2C=CC=CC2)CCC1)=O)(CC=1C=CC=CC1)CC=1C=CC=CC1