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o-Tert.-butyl-L-threonine, N-heptafluorobutyryl-, methyl ester

View entire compound with spectra: 1 NMR

o-Tert.-butyl-L-threonine, N-heptafluorobutyryl-, methyl ester
SpectraBase Compound ID HGuJsvQMSxz
InChI InChI=1S/C13H18F7NO4/c1-6(25-10(2,3)4)7(8(22)24-5)21-9(23)11(14,15)12(16,17)13(18,19)20/h6-7H,1-5H3,(H,21,23)
InChIKey YIAPUUUIDGAFMK-UHFFFAOYSA-N
Mol Weight 385.28 g/mol
Molecular Formula C13H18F7NO4
Exact Mass 385.112405 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4MWbVUejsQm
Name o-Tert.-butyl-L-threonine, N-heptafluorobutyryl-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 385.112405201 u
Formula C13H18F7NO4
InChI InChI=1S/C13H18F7NO4/c1-6(25-10(2,3)4)7(8(22)24-5)21-9(23)11(14,15)12(16,17)13(18,19)20/h6-7H,1-5H3,(H,21,23)
InChIKey YIAPUUUIDGAFMK-UHFFFAOYSA-N
Molecular Weight 385.279 g/mol
SMILES C(OC(C(C(OC)=O)NC(=O)C(C(C(F)(F)F)(F)F)(F)F)C)(C)(C)C