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L-Valine, N-heptafluorobutyryl-, dodecyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-heptafluorobutyryl-, dodecyl ester
SpectraBase Compound ID 2cYJhl5UhlB
InChI InChI=1S/C21H34F7NO3/c1-4-5-6-7-8-9-10-11-12-13-14-32-17(30)16(15(2)3)29-18(31)19(22,23)20(24,25)21(26,27)28/h15-16H,4-14H2,1-3H3,(H,29,31)
InChIKey BIMNQVWNKMRGJB-UHFFFAOYSA-N
Mol Weight 481.5 g/mol
Molecular Formula C21H34F7NO3
Exact Mass 481.242691 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 15CAerETXvT
Name L-Valine, N-heptafluorobutyryl-, dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 481.242691097 u
Formula C21H34F7NO3
InChI InChI=1S/C21H34F7NO3/c1-4-5-6-7-8-9-10-11-12-13-14-32-17(30)16(15(2)3)29-18(31)19(22,23)20(24,25)21(26,27)28/h15-16H,4-14H2,1-3H3,(H,29,31)
InChIKey BIMNQVWNKMRGJB-UHFFFAOYSA-N
Molecular Weight 481.496 g/mol
SMILES C(C(C(C(NC(C(OCCCCCCCCCCCC)=O)C(C)C)=O)(F)F)(F)F)(F)(F)F