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L-Valine, N-pentafluorobenzoyl-, octadecyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-pentafluorobenzoyl-, octadecyl ester
SpectraBase Compound ID J0gfiewBVos
InChI InChI=1S/C30H46F5NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-39-30(38)28(21(2)3)36-29(37)22-23(31)25(33)27(35)26(34)24(22)32/h21,28H,4-20H2,1-3H3,(H,36,37)
InChIKey YVSURAVAVPEGGQ-UHFFFAOYSA-N
Mol Weight 563.7 g/mol
Molecular Formula C30H46F5NO3
Exact Mass 563.339785 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EyWscCM8GkB
Name L-Valine, N-pentafluorobenzoyl-, octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 563.339785157 u
Formula C30H46F5NO3
InChI InChI=1S/C30H46F5NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-39-30(38)28(21(2)3)36-29(37)22-23(31)25(33)27(35)26(34)24(22)32/h21,28H,4-20H2,1-3H3,(H,36,37)
InChIKey YVSURAVAVPEGGQ-UHFFFAOYSA-N
Molecular Weight 563.694 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)C(=O)NC(C(C)C)C(=O)OCCCCCCCCCCCCCCCCCC)F)F)F