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N-[[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]methyl]-1-propanamine

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

N-[[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]methyl]-1-propanamine
SpectraBase Compound ID 35CpX2gL46U
InChI InChI=1S/C20H18F17N/c1-2-9-38-10-12-5-3-11(4-6-12)7-8-13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)19(33,34)20(35,36)37/h3-6,38H,2,7-10H2,1H3
InChIKey AGGMQGDOCMQSTR-UHFFFAOYSA-N
Mol Weight 595.34 g/mol
Molecular Formula C20H18F17N
Exact Mass 595.116778 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DdfgUxR2ty7
Name N-[[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)phenyl]methyl]-1-propanamine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 595.116778355 u
Formula C20H18F17N
InChI InChI=1S/C20H18F17N/c1-2-9-38-10-12-5-3-11(4-6-12)7-8-13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)19(33,34)20(35,36)37/h3-6,38H,2,7-10H2,1H3
InChIKey AGGMQGDOCMQSTR-UHFFFAOYSA-N
Molecular Weight 595.344 g/mol
SMILES C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(CCC1=CC=C(C=C1)CNCCC)(F)F)(F)F)(F)F)(F)F