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.beta.-Alanine, N-heptafluorobutyryl-, heptadecyl ester

View entire compound with spectra: 1 NMR

.beta.-Alanine, N-heptafluorobutyryl-, heptadecyl ester
SpectraBase Compound ID EQDiWsrO9xj
InChI InChI=1S/C24H40F7NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-35-20(33)17-18-32-21(34)22(25,26)23(27,28)24(29,30)31/h2-19H2,1H3,(H,32,34)
InChIKey OTCKMLPNRZEBQK-UHFFFAOYSA-N
Mol Weight 523.6 g/mol
Molecular Formula C24H40F7NO3
Exact Mass 523.289641 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GvxwoDqYVuz
Name .beta.-Alanine, N-heptafluorobutyryl-, heptadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 523.289641290 u
Formula C24H40F7NO3
InChI InChI=1S/C24H40F7NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-35-20(33)17-18-32-21(34)22(25,26)23(27,28)24(29,30)31/h2-19H2,1H3,(H,32,34)
InChIKey OTCKMLPNRZEBQK-UHFFFAOYSA-N
Molecular Weight 523.577 g/mol
SMILES CCCCCCCCCCCCCCCCCOC(CCNC(C(C(C(F)(F)F)(F)F)(F)F)=O)=O