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

View entire compound with spectra: 1 NMR

.beta.-Alanine, N-heptafluorobutyryl-, pentadecyl ester
SpectraBase Compound ID BB36P9oqGca
InChI InChI=1S/C22H36F7NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-33-18(31)15-16-30-19(32)20(23,24)21(25,26)22(27,28)29/h2-17H2,1H3,(H,30,32)
InChIKey YDKZHIHXGNPMQC-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 DB65Z8rcFHT
Name .beta.-Alanine, N-heptafluorobutyryl-, pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 495.258341161 u
Formula C22H36F7NO3
InChI InChI=1S/C22H36F7NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-33-18(31)15-16-30-19(32)20(23,24)21(25,26)22(27,28)29/h2-17H2,1H3,(H,30,32)
InChIKey YDKZHIHXGNPMQC-UHFFFAOYSA-N
Molecular Weight 495.523 g/mol
SMILES CCCCCCCCCCCCCCCOC(CCNC(C(C(C(F)(F)F)(F)F)(F)F)=O)=O