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2-(4'-Bromo[1,1'-biphenyl]-4-yl)-2-oxoethyl 4-butylcyclohexanecarboxylate

View entire compound with spectra: 2 NMR

2-(4'-Bromo[1,1'-biphenyl]-4-yl)-2-oxoethyl 4-butylcyclohexanecarboxylate
SpectraBase Compound ID KeWVLprLBpj
InChI InChI=1S/C25H29BrO3/c1-2-3-4-18-5-7-22(8-6-18)25(28)29-17-24(27)21-11-9-19(10-12-21)20-13-15-23(26)16-14-20/h9-16,18,22H,2-8,17H2,1H3
InChIKey JPXOKTZQSHJAHP-UHFFFAOYSA-N
Mol Weight 457.41 g/mol
Molecular Formula C25H29BrO3
Exact Mass 456.130008 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LpzOURpHZj2
Name 2-(4'-Bromo[1,1'-biphenyl]-4-yl)-2-oxoethyl 4-butylcyclohexanecarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.130007791 u
Formula C25H29BrO3
InChI InChI=1S/C25H29BrO3/c1-2-3-4-18-5-7-22(8-6-18)25(28)29-17-24(27)21-11-9-19(10-12-21)20-13-15-23(26)16-14-20/h9-16,18,22H,2-8,17H2,1H3
InChIKey JPXOKTZQSHJAHP-UHFFFAOYSA-N
Molecular Weight 457.408 g/mol
SMILES C(OCC(C=1C=CC(=CC1)C=1C=CC(=CC1)Br)=O)(C1CCC(CC1)CCCC)=O