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Glycine, N-pentadecafluorooctanoyl-, isohexyl ester

View entire compound with spectra: 1 NMR

Glycine, N-pentadecafluorooctanoyl-, isohexyl ester
SpectraBase Compound ID GIRpddCUx57
InChI InChI=1S/C16H16F15NO3/c1-7(2)4-3-5-35-8(33)6-32-9(34)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)31/h7H,3-6H2,1-2H3,(H,32,34)
InChIKey BSJLHNXVWGIHTJ-UHFFFAOYSA-N
Mol Weight 555.28 g/mol
Molecular Formula C16H16F15NO3
Exact Mass 555.089066 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DPknkq6vRcW
Name Glycine, N-pentadecafluorooctanoyl-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 555.089065821 u
Formula C16H16F15NO3
InChI InChI=1S/C16H16F15NO3/c1-7(2)4-3-5-35-8(33)6-32-9(34)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)31/h7H,3-6H2,1-2H3,(H,32,34)
InChIKey BSJLHNXVWGIHTJ-UHFFFAOYSA-N
Molecular Weight 555.284 g/mol
SMILES C(C(C(C(C(F)(F)C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(NCC(=O)OCCCC(C)C)=O