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Methyl ester of 19-oxo-1,5-cyclononadecadiencarboxylic acid

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

Methyl ester of 19-oxo-1,5-cyclononadecadiencarboxylic acid
SpectraBase Compound ID JDfIeZXUeWN
InChI InChI=1S/C21H34O3/c1-24-21(23)19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20(19)22/h9,11,17H,2-8,10,12-16,18H2,1H3/b11-9-,19-17+
InChIKey INRAPSICAODKRC-WFONHNEBSA-N
Mol Weight 334.5 g/mol
Molecular Formula C21H34O3
Exact Mass 334.250795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IaslyvUtspQ
Name Methyl ester of 19-oxo-1,5-cyclononadecadiencarboxylic acid
Comments Computed using HOSE algorithm
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Exact Mass 334.250794952 u
Formula C21H34O3
InChI InChI=1S/C21H34O3/c1-24-21(23)19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20(19)22/h9,11,17H,2-8,10,12-16,18H2,1H3/b11-9-,19-17+
InChIKey INRAPSICAODKRC-WFONHNEBSA-N
Molecular Weight 334.500 g/mol
SMILES C(\C=1C(=O)CCCCCCCCCCCC\C=C/CCC\1)(=O)OC