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N-Dodecyl-N-[2'-(perfluorohexyl)ethyl]-2-bromoacetamide

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

N-Dodecyl-N-[2'-(perfluorohexyl)ethyl]-2-bromoacetamide
SpectraBase Compound ID 3D6f83rRuwI
InChI InChI=1S/C22H31BrF13NO/c1-2-3-4-5-6-7-8-9-10-11-13-37(16(38)15-23)14-12-17(24,25)18(26,27)19(28,29)20(30,31)21(32,33)22(34,35)36/h2-15H2,1H3
InChIKey HAQDVTYRGOKEEI-UHFFFAOYSA-N
Mol Weight 652.38 g/mol
Molecular Formula C22H31BrF13NO
Exact Mass 651.138144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F1s2SXdxw7y
Name N-Dodecyl-N-[2'-(perfluorohexyl)ethyl]-2-bromoacetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 651.138143740 u
Formula C22H31BrF13NO
InChI InChI=1S/C22H31BrF13NO/c1-2-3-4-5-6-7-8-9-10-11-13-37(16(38)15-23)14-12-17(24,25)18(26,27)19(28,29)20(30,31)21(32,33)22(34,35)36/h2-15H2,1H3
InChIKey HAQDVTYRGOKEEI-UHFFFAOYSA-N
Molecular Weight 652.379 g/mol
SMILES C(C(C(C(CCN(C(=O)CBr)CCCCCCCCCCCC)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F