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L-Valine, N-pentafluorobenzoyl-, nonyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-pentafluorobenzoyl-, nonyl ester
SpectraBase Compound ID 5sjRDP9tFgz
InChI InChI=1S/C21H28F5NO3/c1-4-5-6-7-8-9-10-11-30-21(29)19(12(2)3)27-20(28)13-14(22)16(24)18(26)17(25)15(13)23/h12,19H,4-11H2,1-3H3,(H,27,28)
InChIKey RMXWJBJYVSEFRG-UHFFFAOYSA-N
Mol Weight 437.45 g/mol
Molecular Formula C21H28F5NO3
Exact Mass 437.198935 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9SpwZyZPrxi
Name L-Valine, N-pentafluorobenzoyl-, nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 437.198934578 u
Formula C21H28F5NO3
InChI InChI=1S/C21H28F5NO3/c1-4-5-6-7-8-9-10-11-30-21(29)19(12(2)3)27-20(28)13-14(22)16(24)18(26)17(25)15(13)23/h12,19H,4-11H2,1-3H3,(H,27,28)
InChIKey RMXWJBJYVSEFRG-UHFFFAOYSA-N
Molecular Weight 437.451 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)C(=O)NC(C(C)C)C(=O)OCCCCCCCCC)F)F)F