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D-Allylglycine, N-heptafluorobutyryl-, hexadecyl ester

View entire compound with spectra: 1 NMR

D-Allylglycine, N-heptafluorobutyryl-, hexadecyl ester
SpectraBase Compound ID 76aJoIe3Rtx
InChI InChI=1S/C25H40F7NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-36-21(34)20(18-4-2)33-22(35)23(26,27)24(28,29)25(30,31)32/h4,20H,2-3,5-19H2,1H3,(H,33,35)
InChIKey XZSFVYDJBRVYNV-UHFFFAOYSA-N
Mol Weight 535.6 g/mol
Molecular Formula C25H40F7NO3
Exact Mass 535.289641 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cmi8avTIBYP
Name D-Allylglycine, N-heptafluorobutyryl-, hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 535.289641290 u
Formula C25H40F7NO3
InChI InChI=1S/C25H40F7NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-36-21(34)20(18-4-2)33-22(35)23(26,27)24(28,29)25(30,31)32/h4,20H,2-3,5-19H2,1H3,(H,33,35)
InChIKey XZSFVYDJBRVYNV-UHFFFAOYSA-N
Molecular Weight 535.588 g/mol
SMILES C(CCCCCCCCOC(C(NC(=O)C(C(C(F)(F)F)(F)F)(F)F)CC=C)=O)CCCCCCC