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.beta.-Alanyl-.beta.-alanine, N-pentafluoropropionyl-, undecyl ester

View entire compound with spectra: 1 NMR

.beta.-Alanyl-.beta.-alanine, N-pentafluoropropionyl-, undecyl ester
SpectraBase Compound ID Ilbrul3fJVz
InChI InChI=1S/C20H33F5N2O4/c1-2-3-4-5-6-7-8-9-10-15-31-17(29)12-14-26-16(28)11-13-27-18(30)19(21,22)20(23,24)25/h2-15H2,1H3,(H,26,28)(H,27,30)
InChIKey SYNBLUBWOGKFRA-UHFFFAOYSA-N
Mol Weight 460.5 g/mol
Molecular Formula C20H33F5N2O4
Exact Mass 460.236048 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ApneS3A9hb0
Name .beta.-Alanyl-.beta.-alanine, N-pentafluoropropionyl-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 460.236048362 u
Formula C20H33F5N2O4
InChI InChI=1S/C20H33F5N2O4/c1-2-3-4-5-6-7-8-9-10-15-31-17(29)12-14-26-16(28)11-13-27-18(30)19(21,22)20(23,24)25/h2-15H2,1H3,(H,26,28)(H,27,30)
InChIKey SYNBLUBWOGKFRA-UHFFFAOYSA-N
Molecular Weight 460.486 g/mol
SMILES CCCCCCCCCCCOC(CCNC(CCNC(C(C(F)(F)F)(F)F)=O)=O)=O