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L-Phenylalanine, N-pentafluoropropionyl-, dodecyl ester
SpectraBase Compound ID AGQXAbi7C3Q
InChI InChI=1S/C24H34F5NO3/c1-2-3-4-5-6-7-8-9-10-14-17-33-21(31)20(18-19-15-12-11-13-16-19)30-22(32)23(25,26)24(27,28)29/h11-13,15-16,20H,2-10,14,17-18H2,1H3,(H,30,32)
InChIKey NJMPKMAKZGSKSM-UHFFFAOYSA-N
Mol Weight 479.5 g/mol
Molecular Formula C24H34F5NO3
Exact Mass 479.245885 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EQgmqJs9Mep
Name L-Phenylalanine, N-pentafluoropropionyl-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 479.245884771 u
Formula C24H34F5NO3
InChI InChI=1S/C24H34F5NO3/c1-2-3-4-5-6-7-8-9-10-14-17-33-21(31)20(18-19-15-12-11-13-16-19)30-22(32)23(25,26)24(27,28)29/h11-13,15-16,20H,2-10,14,17-18H2,1H3,(H,30,32)
InChIKey NJMPKMAKZGSKSM-UHFFFAOYSA-N
Molecular Weight 479.532 g/mol
SMILES C(CCCOC(C(NC(C(C(F)(F)F)(F)F)=O)CC1=CC=CC=C1)=O)CCCCCCCC