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

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L-Valine, N-(3,4-difluorobenzoyl)-, nonyl ester
SpectraBase Compound ID hsYkVwjc9T
InChI InChI=1S/C21H31F2NO3/c1-4-5-6-7-8-9-10-13-27-21(26)19(15(2)3)24-20(25)16-11-12-17(22)18(23)14-16/h11-12,14-15,19H,4-10,13H2,1-3H3,(H,24,25)
InChIKey NMLIITUQKDBZTP-UHFFFAOYSA-N
Mol Weight 383.48 g/mol
Molecular Formula C21H31F2NO3
Exact Mass 383.2272 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DPVTrBfGnVb
Name L-Valine, N-(3,4-difluorobenzoyl)-, nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 383.227200185 u
Formula C21H31F2NO3
InChI InChI=1S/C21H31F2NO3/c1-4-5-6-7-8-9-10-13-27-21(26)19(15(2)3)24-20(25)16-11-12-17(22)18(23)14-16/h11-12,14-15,19H,4-10,13H2,1-3H3,(H,24,25)
InChIKey NMLIITUQKDBZTP-UHFFFAOYSA-N
Molecular Weight 383.480 g/mol
SMILES C1(=C(C=C(C=C1)C(NC(C(C)C)C(=O)OCCCCCCCCC)=O)F)F