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Pentafluorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester

View entire compound with spectra: 1 NMR

Pentafluorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester
SpectraBase Compound ID HEfpbiUJEoZ
InChI InChI=1S/C17H15F5O2/c1-8(2)5-6-10(7-9(3)4)24-17(23)11-12(18)14(20)16(22)15(21)13(11)19/h9-10H,1,7H2,2-4H3
InChIKey XSVXMGNYSMOXGA-UHFFFAOYSA-N
Mol Weight 346.3 g/mol
Molecular Formula C17H15F5O2
Exact Mass 346.099221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dfh2EKGTQj7
Name Pentafluorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 346.099220536 u
Formula C17H15F5O2
InChI InChI=1S/C17H15F5O2/c1-8(2)5-6-10(7-9(3)4)24-17(23)11-12(18)14(20)16(22)15(21)13(11)19/h9-10H,1,7H2,2-4H3
InChIKey XSVXMGNYSMOXGA-UHFFFAOYSA-N
Molecular Weight 346.297 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)C(OC(C#CC(=C)C)CC(C)C)=O)F)F)F