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Methyl 18-fluoro-octadec-9-enoate
SpectraBase Compound ID 6Lq1XZ8PhxP
InChI InChI=1S/C19H35FO2/c1-22-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20/h2-3H,4-18H2,1H3/b3-2-
InChIKey ITZQJDZZBSASBQ-IHWYPQMZSA-N
Mol Weight 314.5 g/mol
Molecular Formula C19H35FO2
Exact Mass 314.262109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AecGDDbIjO6
Name Methyl 18-fluoro-octadec-9-enoate
Comments Computed using HOSE algorithm
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Exact Mass 314.262108528 u
Formula C19H35FO2
InChI InChI=1S/C19H35FO2/c1-22-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20/h2-3H,4-18H2,1H3/b3-2-
InChIKey ITZQJDZZBSASBQ-IHWYPQMZSA-N
Molecular Weight 314.485 g/mol
SMILES C(CCCCCC\C=C/CCCCCCCCF)C(OC)=O