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L-Valine, N-(4-fluorobenzoyl)-, undecyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-(4-fluorobenzoyl)-, undecyl ester
SpectraBase Compound ID pziKThhieO
InChI InChI=1S/C23H36FNO3/c1-4-5-6-7-8-9-10-11-12-17-28-23(27)21(18(2)3)25-22(26)19-13-15-20(24)16-14-19/h13-16,18,21H,4-12,17H2,1-3H3,(H,25,26)
InChIKey ZVPGTMSTFBKXGT-UHFFFAOYSA-N
Mol Weight 393.5 g/mol
Molecular Formula C23H36FNO3
Exact Mass 393.267922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9j9vuzfo9qV
Name L-Valine, N-(4-fluorobenzoyl)-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 393.267922183 u
Formula C23H36FNO3
InChI InChI=1S/C23H36FNO3/c1-4-5-6-7-8-9-10-11-12-17-28-23(27)21(18(2)3)25-22(26)19-13-15-20(24)16-14-19/h13-16,18,21H,4-12,17H2,1-3H3,(H,25,26)
InChIKey ZVPGTMSTFBKXGT-UHFFFAOYSA-N
Molecular Weight 393.543 g/mol
SMILES C1=C(C=CC(=C1)C(NC(C(C)C)C(=O)OCCCCCCCCCCC)=O)F