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bis(3-Methylbutyl) N-heptafluorobutyrylaspartate

View entire compound with spectra: 1 NMR

bis(3-Methylbutyl) N-heptafluorobutyrylaspartate
SpectraBase Compound ID EiUgHspLcaQ
InChI InChI=1S/C18H26F7NO5/c1-10(2)5-7-30-13(27)9-12(14(28)31-8-6-11(3)4)26-15(29)16(19,20)17(21,22)18(23,24)25/h10-12H,5-9H2,1-4H3,(H,26,29)
InChIKey VIFUJIXWSIVXKN-UHFFFAOYSA-N
Mol Weight 469.4 g/mol
Molecular Formula C18H26F7NO5
Exact Mass 469.16992 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LGGEldwbVYB
Name bis(3-Methylbutyl) N-heptafluorobutyrylaspartate
Comments Computed using HOSE algorithm
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Exact Mass 469.169920077 u
Formula C18H26F7NO5
InChI InChI=1S/C18H26F7NO5/c1-10(2)5-7-30-13(27)9-12(14(28)31-8-6-11(3)4)26-15(29)16(19,20)17(21,22)18(23,24)25/h10-12H,5-9H2,1-4H3,(H,26,29)
InChIKey VIFUJIXWSIVXKN-UHFFFAOYSA-N
Molecular Weight 469.397 g/mol
SMILES CC(CCOC(C(CC(OCCC(C)C)=O)NC(=O)C(C(F)(F)C(F)(F)F)(F)F)=O)C