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bis(3-Methylbutyl) N-heptafluorobutyrylglutamate

View entire compound with spectra: 1 NMR

bis(3-Methylbutyl) N-heptafluorobutyrylglutamate
SpectraBase Compound ID 8zPDKkSNmEd
InChI InChI=1S/C19H28F7NO5/c1-11(2)7-9-31-14(28)6-5-13(15(29)32-10-8-12(3)4)27-16(30)17(20,21)18(22,23)19(24,25)26/h11-13H,5-10H2,1-4H3,(H,27,30)
InChIKey WOGVRNJBAFKVGX-UHFFFAOYSA-N
Mol Weight 483.42 g/mol
Molecular Formula C19H28F7NO5
Exact Mass 483.18557 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ZGlPIp6RNY
Name bis(3-Methylbutyl) N-heptafluorobutyrylglutamate
Comments Computed using HOSE algorithm
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Exact Mass 483.185570142 u
Formula C19H28F7NO5
InChI InChI=1S/C19H28F7NO5/c1-11(2)7-9-31-14(28)6-5-13(15(29)32-10-8-12(3)4)27-16(30)17(20,21)18(22,23)19(24,25)26/h11-13H,5-10H2,1-4H3,(H,27,30)
InChIKey WOGVRNJBAFKVGX-UHFFFAOYSA-N
Molecular Weight 483.424 g/mol
SMILES CC(CCOC(CCC(C(OCCC(C)C)=O)NC(=O)C(C(F)(F)C(F)(F)F)(F)F)=O)C