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L-Valine, N-pentafluoropropionyl-, dodecyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-pentafluoropropionyl-, dodecyl ester
SpectraBase Compound ID ECyDyjqvI1r
InChI InChI=1S/C20H34F5NO3/c1-4-5-6-7-8-9-10-11-12-13-14-29-17(27)16(15(2)3)26-18(28)19(21,22)20(23,24)25/h15-16H,4-14H2,1-3H3,(H,26,28)
InChIKey ZFWDNDXXFUSCOI-UHFFFAOYSA-N
Mol Weight 431.5 g/mol
Molecular Formula C20H34F5NO3
Exact Mass 431.245885 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9NtNgKyiaS1
Name L-Valine, N-pentafluoropropionyl-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 431.245884771 u
Formula C20H34F5NO3
InChI InChI=1S/C20H34F5NO3/c1-4-5-6-7-8-9-10-11-12-13-14-29-17(27)16(15(2)3)26-18(28)19(21,22)20(23,24)25/h15-16H,4-14H2,1-3H3,(H,26,28)
InChIKey ZFWDNDXXFUSCOI-UHFFFAOYSA-N
Molecular Weight 431.488 g/mol
SMILES CCCCCCCCCCCCOC(C(NC(C(C(F)(F)F)(F)F)=O)C(C)C)=O