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Heptafluorobutyramide, N-benzyl-N-octadecyl-

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Heptafluorobutyramide, N-benzyl-N-octadecyl-
SpectraBase Compound ID 8RtrJ8UoDxO
InChI InChI=1S/C29H44F7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-37(24-25-21-18-17-19-22-25)26(38)27(30,31)28(32,33)29(34,35)36/h17-19,21-22H,2-16,20,23-24H2,1H3
InChIKey TYEJVOGTQAPCLM-UHFFFAOYSA-N
Mol Weight 555.7 g/mol
Molecular Formula C29H44F7NO
Exact Mass 555.331112 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bm6pTOEZaaG
Name Heptafluorobutyramide, N-benzyl-N-octadecyl-
Comments Computed using HOSE algorithm
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Exact Mass 555.331112181 u
Formula C29H44F7NO
InChI InChI=1S/C29H44F7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-37(24-25-21-18-17-19-22-25)26(38)27(30,31)28(32,33)29(34,35)36/h17-19,21-22H,2-16,20,23-24H2,1H3
InChIKey TYEJVOGTQAPCLM-UHFFFAOYSA-N
Molecular Weight 555.666 g/mol
SMILES C(N(CCCCCCCCCCCCCCCCCC)CC1=CC=CC=C1)(=O)C(C(C(F)(F)F)(F)F)(F)F