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Methyl 12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoro-10-iodoheptadecanecarboxylate

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Methyl 12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoro-10-iodoheptadecanecarboxylate
SpectraBase Compound ID BzoDNmS1Q3L
InChI InChI=1S/C18H22F13IO2/c1-34-12(33)9-7-5-3-2-4-6-8-11(32)10-13(19,20)14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)31/h11H,2-10H2,1H3
InChIKey HNXVXTVIAWCXLN-UHFFFAOYSA-N
Mol Weight 644.26 g/mol
Molecular Formula C18H22F13IO2
Exact Mass 644.045691 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9CrSr5OZtkG
Name Methyl 12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoro-10-iodoheptadecanecarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 644.045691065 u
Formula C18H22F13IO2
InChI InChI=1S/C18H22F13IO2/c1-34-12(33)9-7-5-3-2-4-6-8-11(32)10-13(19,20)14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)31/h11H,2-10H2,1H3
InChIKey HNXVXTVIAWCXLN-UHFFFAOYSA-N
Molecular Weight 644.256 g/mol
SMILES C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(CC(I)CCCCCCCCC(=O)OC)(F)F)(F)F)(F)F