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.beta.-Alanine, N-(3-fluorobenzoyl)-, undecyl ester
SpectraBase Compound ID cDHvkrh3Z9
InChI InChI=1S/C21H32FNO3/c1-2-3-4-5-6-7-8-9-10-16-26-20(24)14-15-23-21(25)18-12-11-13-19(22)17-18/h11-13,17H,2-10,14-16H2,1H3,(H,23,25)
InChIKey PSDRYUPWBWEJLI-UHFFFAOYSA-N
Mol Weight 365.5 g/mol
Molecular Formula C21H32FNO3
Exact Mass 365.236622 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GQ5t18nvLAB
Name .beta.-Alanine, N-(3-fluorobenzoyl)-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 365.236622054 u
Formula C21H32FNO3
InChI InChI=1S/C21H32FNO3/c1-2-3-4-5-6-7-8-9-10-16-26-20(24)14-15-23-21(25)18-12-11-13-19(22)17-18/h11-13,17H,2-10,14-16H2,1H3,(H,23,25)
InChIKey PSDRYUPWBWEJLI-UHFFFAOYSA-N
Molecular Weight 365.489 g/mol
SMILES C1=C(C=CC=C1C(NCCC(OCCCCCCCCCCC)=O)=O)F