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3',7'-Dimethyloct-6'-enyl 3-methyl-2-oxopentadecanoate

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

3',7'-Dimethyloct-6'-enyl 3-methyl-2-oxopentadecanoate
SpectraBase Compound ID a11UPbGI9T
InChI InChI=1S/C26H48O3/c1-6-7-8-9-10-11-12-13-14-15-19-24(5)25(27)26(28)29-21-20-23(4)18-16-17-22(2)3/h17,23-24H,6-16,18-21H2,1-5H3
InChIKey LSWULUHQTWNICW-UHFFFAOYSA-N
Mol Weight 408.7 g/mol
Molecular Formula C26H48O3
Exact Mass 408.360345 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BskLRDGKEXi
Name 3',7'-Dimethyloct-6'-enyl 3-methyl-2-oxopentadecanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.360345403 u
Formula C26H48O3
InChI InChI=1S/C26H48O3/c1-6-7-8-9-10-11-12-13-14-15-19-24(5)25(27)26(28)29-21-20-23(4)18-16-17-22(2)3/h17,23-24H,6-16,18-21H2,1-5H3
InChIKey LSWULUHQTWNICW-UHFFFAOYSA-N
Molecular Weight 408.667 g/mol
SMILES C(C(=O)OCCC(CCC=C(C)C)C)(=O)C(CCCCCCCCCCCC)C