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Cyclohexyl 2-(2-benzyloxy-2-phenylethyl)-4-methylpentanoate

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Cyclohexyl 2-(2-benzyloxy-2-phenylethyl)-4-methylpentanoate
SpectraBase Compound ID 1q9fQczdyBq
InChI InChI=1S/C27H36O3/c1-21(2)18-24(27(28)30-25-16-10-5-11-17-25)19-26(23-14-8-4-9-15-23)29-20-22-12-6-3-7-13-22/h3-4,6-9,12-15,21,24-26H,5,10-11,16-20H2,1-2H3
InChIKey YTBDULMGYXGIHT-UHFFFAOYSA-N
Mol Weight 408.6 g/mol
Molecular Formula C27H36O3
Exact Mass 408.266445 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8sAAdgOQs9W
Name Cyclohexyl 2-(2-benzyloxy-2-phenylethyl)-4-methylpentanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.266445016 u
Formula C27H36O3
InChI InChI=1S/C27H36O3/c1-21(2)18-24(27(28)30-25-16-10-5-11-17-25)19-26(23-14-8-4-9-15-23)29-20-22-12-6-3-7-13-22/h3-4,6-9,12-15,21,24-26H,5,10-11,16-20H2,1-2H3
InChIKey YTBDULMGYXGIHT-UHFFFAOYSA-N
Molecular Weight 408.582 g/mol
SMILES C(C(CC(C)C)CC(C=1C=CC=CC1)OCC=1C=CC=CC1)(=O)OC1CCCCC1