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

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1,2-Cyclohexanedicarboxylic acid, 2-biphenyl octyl ester
SpectraBase Compound ID LxziLkozHvd
InChI InChI=1S/C28H36O4/c1-2-3-4-5-6-14-21-31-27(29)24-18-10-11-19-25(24)28(30)32-26-20-13-12-17-23(26)22-15-8-7-9-16-22/h7-9,12-13,15-17,20,24-25H,2-6,10-11,14,18-19,21H2,1H3
InChIKey NITKFZFCTSUEQP-UHFFFAOYSA-N
Mol Weight 436.6 g/mol
Molecular Formula C28H36O4
Exact Mass 436.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 42R3MezD5Ck
Name 1,2-Cyclohexanedicarboxylic acid, 2-biphenyl octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.261359635 u
Formula C28H36O4
InChI InChI=1S/C28H36O4/c1-2-3-4-5-6-14-21-31-27(29)24-18-10-11-19-25(24)28(30)32-26-20-13-12-17-23(26)22-15-8-7-9-16-22/h7-9,12-13,15-17,20,24-25H,2-6,10-11,14,18-19,21H2,1H3
InChIKey NITKFZFCTSUEQP-UHFFFAOYSA-N
Molecular Weight 436.592 g/mol
SMILES C(C1CCCCC1C(=O)OC1=C(C=CC=C1)C1=CC=CC=C1)(OCCCCCCCC)=O