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Heptafluorobutanamide, N-(2-phenylethyl)-N-hexadecyl-
SpectraBase Compound ID Hdi4uMtlzZz
InChI InChI=1S/C28H42F7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-22-36(23-21-24-19-16-15-17-20-24)25(37)26(29,30)27(31,32)28(33,34)35/h15-17,19-20H,2-14,18,21-23H2,1H3
InChIKey DBCBYJGKDUPCRP-UHFFFAOYSA-N
Mol Weight 541.6 g/mol
Molecular Formula C28H42F7NO
Exact Mass 541.315462 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DdZYyKFXLoM
Name Heptafluorobutanamide, N-(2-phenylethyl)-N-hexadecyl-
Comments Computed using HOSE algorithm
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Exact Mass 541.315462116 u
Formula C28H42F7NO
InChI InChI=1S/C28H42F7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-22-36(23-21-24-19-16-15-17-20-24)25(37)26(29,30)27(31,32)28(33,34)35/h15-17,19-20H,2-14,18,21-23H2,1H3
InChIKey DBCBYJGKDUPCRP-UHFFFAOYSA-N
Molecular Weight 541.639 g/mol
SMILES C1=CC=CC(=C1)CCN(C(=O)C(C(C(F)(F)F)(F)F)(F)F)CCCCCCCCCCCCCCCC