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12,12,13,13,14,14,15,15,16,16,17,17,17-Tridecafluoroheptadec-10-enoic acid

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

12,12,13,13,14,14,15,15,16,16,17,17,17-Tridecafluoroheptadec-10-enoic acid
SpectraBase Compound ID IdCJUnjIO0t
InChI InChI=1S/C17H19F13O2/c18-12(19,10-8-6-4-2-1-3-5-7-9-11(31)32)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30/h8,10H,1-7,9H2,(H,31,32)/b10-8+
InChIKey GHSVVXJJMZZXPH-CSKARUKUSA-N
Mol Weight 502.32 g/mol
Molecular Formula C17H19F13O2
Exact Mass 502.117746 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fd0rldboEMm
Name 12,12,13,13,14,14,15,15,16,16,17,17,17-Tridecafluoroheptadec-10-enoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 502.117745969 u
Formula C17H19F13O2
InChI InChI=1S/C17H19F13O2/c18-12(19,10-8-6-4-2-1-3-5-7-9-11(31)32)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30/h8,10H,1-7,9H2,(H,31,32)/b10-8+
InChIKey GHSVVXJJMZZXPH-CSKARUKUSA-N
Molecular Weight 502.316 g/mol
SMILES C(CCCCCCCC\C=C\C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(=O)O