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1,2-Cyclohexanedicarboxylic acid, 2-methylcyclohexyl undecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

1,2-Cyclohexanedicarboxylic acid, 2-methylcyclohexyl undecyl ester
SpectraBase Compound ID Ias1LP1ypLr
InChI InChI=1S/C26H46O4/c1-3-4-5-6-7-8-9-10-15-20-29-25(27)22-17-12-13-18-23(22)26(28)30-24-19-14-11-16-21(24)2/h21-24H,3-20H2,1-2H3
InChIKey LLXISYREWPSUIU-UHFFFAOYSA-N
Mol Weight 422.7 g/mol
Molecular Formula C26H46O4
Exact Mass 422.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IajkUHqtpvA
Name 1,2-Cyclohexanedicarboxylic acid, 2-methylcyclohexyl undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.339609957 u
Formula C26H46O4
InChI InChI=1S/C26H46O4/c1-3-4-5-6-7-8-9-10-15-20-29-25(27)22-17-12-13-18-23(22)26(28)30-24-19-14-11-16-21(24)2/h21-24H,3-20H2,1-2H3
InChIKey LLXISYREWPSUIU-UHFFFAOYSA-N
Molecular Weight 422.650 g/mol
SMILES C1(C(CCCC1)C)OC(C1CCCCC1C(OCCCCCCCCCCC)=O)=O