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Adipic acid, tetradecyl trans-2-methylcyclohexyl ester

View entire compound with spectra: 1 NMR

Adipic acid, tetradecyl trans-2-methylcyclohexyl ester
SpectraBase Compound ID EVq8waKoQ0G
InChI InChI=1S/C27H50O4/c1-3-4-5-6-7-8-9-10-11-12-13-18-23-30-26(28)21-16-17-22-27(29)31-25-20-15-14-19-24(25)2/h24-25H,3-23H2,1-2H3
InChIKey PRHRBSMYWPOTOV-UHFFFAOYSA-N
Mol Weight 438.7 g/mol
Molecular Formula C27H50O4
Exact Mass 438.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9uVgphCepbf
Name Adipic acid, tetradecyl trans-2-methylcyclohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.370910086 u
Formula C27H50O4
InChI InChI=1S/C27H50O4/c1-3-4-5-6-7-8-9-10-11-12-13-18-23-30-26(28)21-16-17-22-27(29)31-25-20-15-14-19-24(25)2/h24-25H,3-23H2,1-2H3
InChIKey PRHRBSMYWPOTOV-UHFFFAOYSA-N
Molecular Weight 438.693 g/mol
SMILES C(=O)(CCCCC(OCCCCCCCCCCCCCC)=O)OC1CCCCC1C