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2-Cyclopentene-1-octanoic acid, 4-oxo-5-(2-pentenyl)-, tms derivative

View entire compound with spectra: 1 NMR

2-Cyclopentene-1-octanoic acid, 4-oxo-5-(2-pentenyl)-, tms derivative
SpectraBase Compound ID 5zoVXbnAVjy
InChI InChI=1S/C21H36O3Si/c1-5-6-10-14-19-18(16-17-20(19)22)13-11-8-7-9-12-15-21(23)24-25(2,3)4/h6,10,16-19H,5,7-9,11-15H2,1-4H3/b10-6+
InChIKey XGORPTDXXCAEDX-UXBLZVDNSA-N
Mol Weight 364.6 g/mol
Molecular Formula C21H36O3Si
Exact Mass 364.243372 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FfLDeXdyxwB
Name 2-Cyclopentene-1-octanoic acid, 4-oxo-5-(2-pentenyl)-, tms derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.243371551 u
Formula C21H36O3Si
InChI InChI=1S/C21H36O3Si/c1-5-6-10-14-19-18(16-17-20(19)22)13-11-8-7-9-12-15-21(23)24-25(2,3)4/h6,10,16-19H,5,7-9,11-15H2,1-4H3/b10-6+
InChIKey XGORPTDXXCAEDX-UXBLZVDNSA-N
Molecular Weight 364.601 g/mol
SMILES C1(C=CC(C1C\C=C\CC)=O)CCCCCCCC(=O)O[Si](C)(C)C