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1,3-Benzenediol, o-cyclohexanecarbonyl-o'-octanoyl-

View entire compound with spectra: 1 NMR

1,3-Benzenediol, o-cyclohexanecarbonyl-o'-octanoyl-
SpectraBase Compound ID 1ucnAmY6ndv
InChI InChI=1S/C21H30O4/c1-2-3-4-5-9-15-20(22)24-18-13-10-14-19(16-18)25-21(23)17-11-7-6-8-12-17/h10,13-14,16-17H,2-9,11-12,15H2,1H3
InChIKey TXKJWHQAEYJRLO-UHFFFAOYSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IN3EoV5oX25
Name 1,3-Benzenediol, o-cyclohexanecarbonyl-o'-octanoyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.214409442 u
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-2-3-4-5-9-15-20(22)24-18-13-10-14-19(16-18)25-21(23)17-11-7-6-8-12-17/h10,13-14,16-17H,2-9,11-12,15H2,1H3
InChIKey TXKJWHQAEYJRLO-UHFFFAOYSA-N
Molecular Weight 346.467 g/mol
SMILES C1(=CC(=CC=C1)OC(=O)C1CCCCC1)OC(CCCCCCC)=O