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L-Alanine, N-(4-rtifluoromethylbenzoyl)-, dodecyl ester
SpectraBase Compound ID 48tebJdvZ9B
InChI InChI=1S/C23H34F3NO3/c1-3-4-5-6-7-8-9-10-11-12-17-30-22(29)18(2)27-21(28)19-13-15-20(16-14-19)23(24,25)26/h13-16,18H,3-12,17H2,1-2H3,(H,27,28)
InChIKey VFTXNKIMUOQTBM-UHFFFAOYSA-N
Mol Weight 429.5 g/mol
Molecular Formula C23H34F3NO3
Exact Mass 429.249078 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 15964gTxZt1
Name L-Alanine, N-(4-rtifluoromethylbenzoyl)-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 429.249078445 u
Formula C23H34F3NO3
InChI InChI=1S/C23H34F3NO3/c1-3-4-5-6-7-8-9-10-11-12-17-30-22(29)18(2)27-21(28)19-13-15-20(16-14-19)23(24,25)26/h13-16,18H,3-12,17H2,1-2H3,(H,27,28)
InChIKey VFTXNKIMUOQTBM-UHFFFAOYSA-N
Molecular Weight 429.524 g/mol
SMILES C1=CC(=CC=C1C(NC(C(OCCCCCCCCCCCC)=O)C)=O)C(F)(F)F