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Adipic acid, cyclohexylmethyl isobutyl ester
SpectraBase Compound ID 4PNsxLsxcEl
InChI InChI=1S/C17H30O4/c1-14(2)12-20-16(18)10-6-7-11-17(19)21-13-15-8-4-3-5-9-15/h14-15H,3-13H2,1-2H3
InChIKey CNBUCVZZCIEWDG-UHFFFAOYSA-N
Mol Weight 298.42 g/mol
Molecular Formula C17H30O4
Exact Mass 298.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I51GXBqvOsA
Name Adipic acid, cyclohexylmethyl isobutyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.214409442 u
Formula C17H30O4
InChI InChI=1S/C17H30O4/c1-14(2)12-20-16(18)10-6-7-11-17(19)21-13-15-8-4-3-5-9-15/h14-15H,3-13H2,1-2H3
InChIKey CNBUCVZZCIEWDG-UHFFFAOYSA-N
SMILES CC(C)COC(CCCCC(=O)OCC1CCCCC1)=O