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L-Alanine, N-(heptafluorobutyryl)-, pentadecyl ester

View entire compound with spectra: 1 NMR

L-Alanine, N-(heptafluorobutyryl)-, pentadecyl ester
SpectraBase Compound ID 5FLFn8y9mdH
InChI InChI=1S/C22H36F7NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-33-18(31)17(2)30-19(32)20(23,24)21(25,26)22(27,28)29/h17H,3-16H2,1-2H3,(H,30,32)
InChIKey VBHYZSSYYWUWIE-UHFFFAOYSA-N
Mol Weight 495.5 g/mol
Molecular Formula C22H36F7NO3
Exact Mass 495.258341 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2U6Z181vwhS
Name L-Alanine, N-(heptafluorobutyryl)-, pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 495.258341161 u
Formula C22H36F7NO3
InChI InChI=1S/C22H36F7NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-33-18(31)17(2)30-19(32)20(23,24)21(25,26)22(27,28)29/h17H,3-16H2,1-2H3,(H,30,32)
InChIKey VBHYZSSYYWUWIE-UHFFFAOYSA-N
Molecular Weight 495.523 g/mol
SMILES CCCCCCCCCCCCCCCOC(C(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)C)=O