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2-(2-Bromo-4-benzyloxy-5-methoxybenzyl)-3,3-dimethylcyclohexanone

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2-(2-Bromo-4-benzyloxy-5-methoxybenzyl)-3,3-dimethylcyclohexanone
SpectraBase Compound ID 2btnRPzFHtC
InChI InChI=1S/C23H27BrO3/c1-23(2)11-7-10-20(25)18(23)12-17-13-21(26-3)22(14-19(17)24)27-15-16-8-5-4-6-9-16/h4-6,8-9,13-14,18H,7,10-12,15H2,1-3H3
InChIKey FROPUBFHZFMWDB-UHFFFAOYSA-N
Mol Weight 431.37 g/mol
Molecular Formula C23H27BrO3
Exact Mass 430.114358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LHyyisSOc5S
Name 2-(2-Bromo-4-benzyloxy-5-methoxybenzyl)-3,3-dimethylcyclohexanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.114357726 u
Formula C23H27BrO3
InChI InChI=1S/C23H27BrO3/c1-23(2)11-7-10-20(25)18(23)12-17-13-21(26-3)22(14-19(17)24)27-15-16-8-5-4-6-9-16/h4-6,8-9,13-14,18H,7,10-12,15H2,1-3H3
InChIKey FROPUBFHZFMWDB-UHFFFAOYSA-N
Molecular Weight 431.370 g/mol
SMILES C1(C(C(CCC1)(C)C)CC=1C(=CC(=C(C1)OC)OCC=1C=CC=CC1)Br)=O