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Heptafluorobutyramide, N-benzyl-N-undecyl-
SpectraBase Compound ID 6PmDEM2XVPH
InChI InChI=1S/C22H30F7NO/c1-2-3-4-5-6-7-8-9-13-16-30(17-18-14-11-10-12-15-18)19(31)20(23,24)21(25,26)22(27,28)29/h10-12,14-15H,2-9,13,16-17H2,1H3
InChIKey DQTBOWWKMUMMNO-UHFFFAOYSA-N
Mol Weight 457.48 g/mol
Molecular Formula C22H30F7NO
Exact Mass 457.221562 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4oEVRLRM9jU
Name Heptafluorobutyramide, N-benzyl-N-undecyl-
Comments Computed using HOSE algorithm
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Exact Mass 457.221561730 u
Formula C22H30F7NO
InChI InChI=1S/C22H30F7NO/c1-2-3-4-5-6-7-8-9-13-16-30(17-18-14-11-10-12-15-18)19(31)20(23,24)21(25,26)22(27,28)29/h10-12,14-15H,2-9,13,16-17H2,1H3
InChIKey DQTBOWWKMUMMNO-UHFFFAOYSA-N
Molecular Weight 457.477 g/mol
SMILES C(N(CCCCCCCCCCC)CC1=CC=CC=C1)(=O)C(C(C(F)(F)F)(F)F)(F)F