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

View entire compound with spectra: 1 NMR

L-Valine, N-(3,4-difluorobenzoyl)-, dodecyl ester
SpectraBase Compound ID BvupzQUaSKx
InChI InChI=1S/C24H37F2NO3/c1-4-5-6-7-8-9-10-11-12-13-16-30-24(29)22(18(2)3)27-23(28)19-14-15-20(25)21(26)17-19/h14-15,17-18,22H,4-13,16H2,1-3H3,(H,27,28)
InChIKey HEKNLBFYDAZCLW-UHFFFAOYSA-N
Mol Weight 425.6 g/mol
Molecular Formula C24H37F2NO3
Exact Mass 425.27415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FpVT9ArI9IR
Name L-Valine, N-(3,4-difluorobenzoyl)-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 425.274150378 u
Formula C24H37F2NO3
InChI InChI=1S/C24H37F2NO3/c1-4-5-6-7-8-9-10-11-12-13-16-30-24(29)22(18(2)3)27-23(28)19-14-15-20(25)21(26)17-19/h14-15,17-18,22H,4-13,16H2,1-3H3,(H,27,28)
InChIKey HEKNLBFYDAZCLW-UHFFFAOYSA-N
Molecular Weight 425.561 g/mol
SMILES C1=C(C(=CC(=C1)C(NC(C(C)C)C(=O)OCCCCCCCCCCCC)=O)F)F