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L-Alanine, N-pentafluoropropionyl-, tetradecyl ester

View entire compound with spectra: 1 NMR

L-Alanine, N-pentafluoropropionyl-, tetradecyl ester
SpectraBase Compound ID L03398Aoaiz
InChI InChI=1S/C20H34F5NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-29-17(27)16(2)26-18(28)19(21,22)20(23,24)25/h16H,3-15H2,1-2H3,(H,26,28)
InChIKey BFBJMZAEKAPATH-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 j8burDAA2M
Name L-Alanine, N-pentafluoropropionyl-, tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 431.245884771 u
Formula C20H34F5NO3
InChI InChI=1S/C20H34F5NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-29-17(27)16(2)26-18(28)19(21,22)20(23,24)25/h16H,3-15H2,1-2H3,(H,26,28)
InChIKey BFBJMZAEKAPATH-UHFFFAOYSA-N
Molecular Weight 431.488 g/mol
SMILES C(CCCCCOC(C(NC(=O)C(C(F)(F)F)(F)F)C)=O)CCCCCCCC