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1,2-Cyclohexanedicarboxylic acid, 2-biphenyl heptyl ester

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1,2-Cyclohexanedicarboxylic acid, 2-biphenyl heptyl ester
SpectraBase Compound ID 8giRh7e6TSt
InChI InChI=1S/C27H34O4/c1-2-3-4-5-13-20-30-26(28)23-17-9-10-18-24(23)27(29)31-25-19-12-11-16-22(25)21-14-7-6-8-15-21/h6-8,11-12,14-16,19,23-24H,2-5,9-10,13,17-18,20H2,1H3
InChIKey IHVHESCBLJMSJS-UHFFFAOYSA-N
Mol Weight 422.6 g/mol
Molecular Formula C27H34O4
Exact Mass 422.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DZLu7e07HQt
Name 1,2-Cyclohexanedicarboxylic acid, 2-biphenyl heptyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.245709571 u
Formula C27H34O4
InChI InChI=1S/C27H34O4/c1-2-3-4-5-13-20-30-26(28)23-17-9-10-18-24(23)27(29)31-25-19-12-11-16-22(25)21-14-7-6-8-15-21/h6-8,11-12,14-16,19,23-24H,2-5,9-10,13,17-18,20H2,1H3
InChIKey IHVHESCBLJMSJS-UHFFFAOYSA-N
Molecular Weight 422.565 g/mol
SMILES C(C1CCCCC1C(=O)OC1=C(C=CC=C1)C1=CC=CC=C1)(OCCCCCCC)=O