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L-Valine, N-pentafluorobenzoyl-, pentadecyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-pentafluorobenzoyl-, pentadecyl ester
SpectraBase Compound ID 5T899RnUVix
InChI InChI=1S/C27H40F5NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-36-27(35)25(18(2)3)33-26(34)19-20(28)22(30)24(32)23(31)21(19)29/h18,25H,4-17H2,1-3H3,(H,33,34)
InChIKey PHWQGNNNOMPKAU-UHFFFAOYSA-N
Mol Weight 521.6 g/mol
Molecular Formula C27H40F5NO3
Exact Mass 521.292835 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GMvO8ibSZbI
Name L-Valine, N-pentafluorobenzoyl-, pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 521.292834964 u
Formula C27H40F5NO3
InChI InChI=1S/C27H40F5NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-36-27(35)25(18(2)3)33-26(34)19-20(28)22(30)24(32)23(31)21(19)29/h18,25H,4-17H2,1-3H3,(H,33,34)
InChIKey PHWQGNNNOMPKAU-UHFFFAOYSA-N
Molecular Weight 521.613 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)C(=O)NC(C(C)C)C(=O)OCCCCCCCCCCCCCCC)F)F)F