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L-Alanine, N-(4-trifluoromethylbenzoyl)-, hexadecyl ester

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L-Alanine, N-(4-trifluoromethylbenzoyl)-, hexadecyl ester
SpectraBase Compound ID Fol0lvWQ211
InChI InChI=1S/C27H42F3NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-34-26(33)22(2)31-25(32)23-17-19-24(20-18-23)27(28,29)30/h17-20,22H,3-16,21H2,1-2H3,(H,31,32)
InChIKey LTUFEDOSOSSFQC-UHFFFAOYSA-N
Mol Weight 485.6 g/mol
Molecular Formula C27H42F3NO3
Exact Mass 485.311679 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5YSWPLiPTgx
Name L-Alanine, N-(4-trifluoromethylbenzoyl)-, hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 485.311678702 u
Formula C27H42F3NO3
InChI InChI=1S/C27H42F3NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-34-26(33)22(2)31-25(32)23-17-19-24(20-18-23)27(28,29)30/h17-20,22H,3-16,21H2,1-2H3,(H,31,32)
InChIKey LTUFEDOSOSSFQC-UHFFFAOYSA-N
Molecular Weight 485.632 g/mol
SMILES C1=CC(=CC=C1C(NC(C(OCCCCCCCCCCCCCCCC)=O)C)=O)C(F)(F)F