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12,12,13,13,14,14.15,15-Octfluoro-15-chloro-10-iodopentadecanoic acid

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

12,12,13,13,14,14.15,15-Octfluoro-15-chloro-10-iodopentadecanoic acid
SpectraBase Compound ID 8JbDoGx83SP
InChI InChI=1S/C15H20ClF8IO2/c16-15(23,24)14(21,22)13(19,20)12(17,18)9-10(25)7-5-3-1-2-4-6-8-11(26)27/h10H,1-9H2,(H,26,27)
InChIKey QFNVYAYFRZIDON-UHFFFAOYSA-N
Mol Weight 546.67 g/mol
Molecular Formula C15H20ClF8IO2
Exact Mass 546.006878 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ByFEazJTXzU
Name 12,12,13,13,14,14.15,15-Octfluoro-15-chloro-10-iodopentadecanoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 546.006877886 u
Formula C15H20ClF8IO2
InChI InChI=1S/C15H20ClF8IO2/c16-15(23,24)14(21,22)13(19,20)12(17,18)9-10(25)7-5-3-1-2-4-6-8-11(26)27/h10H,1-9H2,(H,26,27)
InChIKey QFNVYAYFRZIDON-UHFFFAOYSA-N
Molecular Weight 546.668 g/mol
SMILES C(C(C(Cl)(F)F)(F)F)(C(CC(I)CCCCCCCCC(=O)O)(F)F)(F)F