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L-Valine, N-(3,4-difluorobenzoyl)-, decyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-(3,4-difluorobenzoyl)-, decyl ester
SpectraBase Compound ID 67nBDcLE1BQ
InChI InChI=1S/C22H33F2NO3/c1-4-5-6-7-8-9-10-11-14-28-22(27)20(16(2)3)25-21(26)17-12-13-18(23)19(24)15-17/h12-13,15-16,20H,4-11,14H2,1-3H3,(H,25,26)
InChIKey NFJFIQRLAHWMGS-UHFFFAOYSA-N
Mol Weight 397.5 g/mol
Molecular Formula C22H33F2NO3
Exact Mass 397.24285 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BCyRaPRlPP
Name L-Valine, N-(3,4-difluorobenzoyl)-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 397.242850250 u
Formula C22H33F2NO3
InChI InChI=1S/C22H33F2NO3/c1-4-5-6-7-8-9-10-11-14-28-22(27)20(16(2)3)25-21(26)17-12-13-18(23)19(24)15-17/h12-13,15-16,20H,4-11,14H2,1-3H3,(H,25,26)
InChIKey NFJFIQRLAHWMGS-UHFFFAOYSA-N
Molecular Weight 397.507 g/mol
SMILES C1(=C(C=C(C=C1)C(NC(C(C)C)C(=O)OCCCCCCCCCC)=O)F)F