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

View entire compound with spectra: 1 NMR

L-Valine, N-(4-fluorobenzoyl)-, decyl ester
SpectraBase Compound ID 4xPxBFa2gSw
InChI InChI=1S/C22H34FNO3/c1-4-5-6-7-8-9-10-11-16-27-22(26)20(17(2)3)24-21(25)18-12-14-19(23)15-13-18/h12-15,17,20H,4-11,16H2,1-3H3,(H,24,25)
InChIKey JAPFVNCJEZKQKQ-UHFFFAOYSA-N
Mol Weight 379.5 g/mol
Molecular Formula C22H34FNO3
Exact Mass 379.252272 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5VtiIgrtUVS
Name L-Valine, N-(4-fluorobenzoyl)-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 379.252272119 u
Formula C22H34FNO3
InChI InChI=1S/C22H34FNO3/c1-4-5-6-7-8-9-10-11-16-27-22(26)20(17(2)3)24-21(25)18-12-14-19(23)15-13-18/h12-15,17,20H,4-11,16H2,1-3H3,(H,24,25)
InChIKey JAPFVNCJEZKQKQ-UHFFFAOYSA-N
Molecular Weight 379.516 g/mol
SMILES C1=C(C=CC(=C1)C(NC(C(C)C)C(=O)OCCCCCCCCCC)=O)F