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Pimelic acid, ethyl 2-methylpentyl ester
SpectraBase Compound ID 2YsrMAO3BjO
InChI InChI=1S/C15H28O4/c1-4-9-13(3)12-19-15(17)11-8-6-7-10-14(16)18-5-2/h13H,4-12H2,1-3H3
InChIKey RYRNYSRKIFUQJA-UHFFFAOYSA-N
Mol Weight 272.38 g/mol
Molecular Formula C15H28O4
Exact Mass 272.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ArKIifEzT72
Name Pimelic acid, ethyl 2-methylpentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.198759378 u
Formula C15H28O4
InChI InChI=1S/C15H28O4/c1-4-9-13(3)12-19-15(17)11-8-6-7-10-14(16)18-5-2/h13H,4-12H2,1-3H3
InChIKey RYRNYSRKIFUQJA-UHFFFAOYSA-N
SMILES C(OCC(C)CCC)(=O)CCCCCC(OCC)=O