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[1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-butyl-, 4-propylcyclohexyl ester

View entire compound with spectra: 1 NMR, and 3 MS (GC)

[1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-butyl-, 4-propylcyclohexyl ester
SpectraBase Compound ID 69y6xOouSFJ
InChI InChI=1S/C26H46O2/c1-3-5-7-21-8-12-22(13-9-21)23-14-16-24(17-15-23)26(27)28-25-18-10-20(6-4-2)11-19-25/h20-25H,3-19H2,1-2H3
InChIKey OXTIAPDLMJSXLF-UHFFFAOYSA-N
Mol Weight 390.7 g/mol
Molecular Formula C26H46O2
Exact Mass 390.349781 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9fcYtRgvuLI
Name [1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-butyl-, 4-propylcyclohexyl ester, [trans[trans(trans)]]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.349780719 u
Formula C26H46O2
InChI InChI=1S/C26H46O2/c1-3-5-7-21-8-12-22(13-9-21)23-14-16-24(17-15-23)26(27)28-25-18-10-20(6-4-2)11-19-25/h20-25H,3-19H2,1-2H3
InChIKey OXTIAPDLMJSXLF-UHFFFAOYSA-N
Molecular Weight 390.652 g/mol
SMILES C1C(CCC(C1)C1CCC(CC1)CCCC)C(=O)OC1CCC(CC1)CCC