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Glycine, N-ethyl-N-pentadecafluorooctanoyl-, pentadecyl ester

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Glycine, N-ethyl-N-pentadecafluorooctanoyl-, pentadecyl ester
SpectraBase Compound ID CZv8uL172Yk
InChI InChI=1S/C27H38F15NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-46-19(44)18-43(4-2)20(45)21(28,29)22(30,31)23(32,33)24(34,35)25(36,37)26(38,39)27(40,41)42/h3-18H2,1-2H3
InChIKey IRRMZSKRBRVVGT-UHFFFAOYSA-N
Mol Weight 709.6 g/mol
Molecular Formula C27H38F15NO3
Exact Mass 709.261217 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LOpdGSvNtWe
Name Glycine, N-ethyl-N-pentadecafluorooctanoyl-, pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 709.261216530 u
Formula C27H38F15NO3
InChI InChI=1S/C27H38F15NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-46-19(44)18-43(4-2)20(45)21(28,29)22(30,31)23(32,33)24(34,35)25(36,37)26(38,39)27(40,41)42/h3-18H2,1-2H3
InChIKey IRRMZSKRBRVVGT-UHFFFAOYSA-N
Molecular Weight 709.581 g/mol
SMILES C(CCCOC(CN(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)=O)CC)=O)CCCCCCCCCCC