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Methyl 12,12,13,13,14,14,15,15,15-nonafluoro-10-iodopentadecanecarboxylate

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Methyl 12,12,13,13,14,14,15,15,15-nonafluoro-10-iodopentadecanecarboxylate
SpectraBase Compound ID 1J4g22dnS3e
InChI InChI=1S/C16H22F9IO2/c1-28-12(27)9-7-5-3-2-4-6-8-11(26)10-13(17,18)14(19,20)15(21,22)16(23,24)25/h11H,2-10H2,1H3
InChIKey CIUKBBKTKNAJHO-UHFFFAOYSA-N
Mol Weight 544.24 g/mol
Molecular Formula C16H22F9IO2
Exact Mass 544.052078 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8ZKll4OxDnm
Name Methyl 12,12,13,13,14,14,15,15,15-nonafluoro-10-iodopentadecanecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 544.052078413 u
Formula C16H22F9IO2
InChI InChI=1S/C16H22F9IO2/c1-28-12(27)9-7-5-3-2-4-6-8-11(26)10-13(17,18)14(19,20)15(21,22)16(23,24)25/h11H,2-10H2,1H3
InChIKey CIUKBBKTKNAJHO-UHFFFAOYSA-N
Molecular Weight 544.240 g/mol
SMILES C(C(C(F)(F)F)(F)F)(C(CC(I)CCCCCCCCC(=O)OC)(F)F)(F)F