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3,7,11-Trimethyldodecanoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester

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3,7,11-Trimethyldodecanoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester
SpectraBase Compound ID 1GnZWlRhHv8
InChI InChI=1S/C19H31F7O2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-16(27)28-12-17(20,21)18(22,23)19(24,25)26/h13-15H,5-12H2,1-4H3
InChIKey XANNCQCTWUZLJZ-UHFFFAOYSA-N
Mol Weight 424.44 g/mol
Molecular Formula C19H31F7O2
Exact Mass 424.221227 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 78mHfl3P8hO
Name 3,7,11-Trimethyldodecanoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.221227377 u
Formula C19H31F7O2
InChI InChI=1S/C19H31F7O2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-16(27)28-12-17(20,21)18(22,23)19(24,25)26/h13-15H,5-12H2,1-4H3
InChIKey XANNCQCTWUZLJZ-UHFFFAOYSA-N
Molecular Weight 424.444 g/mol
SMILES C(C(CC(=O)OCC(C(C(F)(F)F)(F)F)(F)F)C)CCC(CCCC(C)C)C