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

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o-Tert.-butyl-L-serine, N-heptafluorobutyryl-, methyl ester
SpectraBase Compound ID AR87iR0nmLa
InChI InChI=1S/C12H16F7NO4/c1-9(2,3)24-5-6(7(21)23-4)20-8(22)10(13,14)11(15,16)12(17,18)19/h6H,5H2,1-4H3,(H,20,22)
InChIKey RZZVLJSOANYFNQ-UHFFFAOYSA-N
Mol Weight 371.25 g/mol
Molecular Formula C12H16F7NO4
Exact Mass 371.096755 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G20rERca9Hn
Name o-Tert.-butyl-L-serine, N-heptafluorobutyryl-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 371.096755136 u
Formula C12H16F7NO4
InChI InChI=1S/C12H16F7NO4/c1-9(2,3)24-5-6(7(21)23-4)20-8(22)10(13,14)11(15,16)12(17,18)19/h6H,5H2,1-4H3,(H,20,22)
InChIKey RZZVLJSOANYFNQ-UHFFFAOYSA-N
Molecular Weight 371.252 g/mol
SMILES C(C(OC)=O)(COC(C)(C)C)NC(=O)C(C(C(F)(F)F)(F)F)(F)F