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Tert.-butoxycarbonyl-4,4,4-trifluorovalinyl-(2R,3R)-serine-(o-tert.-butyl)-methylester

View entire compound with spectra: 2 NMR

Tert.-butoxycarbonyl-4,4,4-trifluorovalinyl-(2R,3R)-serine-(o-tert.-butyl)-methylester
SpectraBase Compound ID AFfGIymKj9n
InChI InChI=1S/C18H31F3N2O6/c1-10(18(19,20)21)12(23-15(26)29-17(5,6)7)13(24)22-11(14(25)27-8)9-28-16(2,3)4/h10-12H,9H2,1-8H3,(H,22,24)(H,23,26)/t10-,11+,12+/m1/s1
InChIKey BCGFOSZRAYWCAU-WOPDTQHZSA-N
Mol Weight 428.45 g/mol
Molecular Formula C18H31F3N2O6
Exact Mass 428.213421 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4t2pY5stkOo
Name Tert.-butoxycarbonyl-4,4,4-trifluorovalinyl-(2R,3R)-serine-(o-tert.-butyl)-methylester
Comments Computed using HOSE algorithm
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Exact Mass 428.213421209 u
Formula C18H31F3N2O6
InChI InChI=1S/C18H31F3N2O6/c1-10(18(19,20)21)12(23-15(26)29-17(5,6)7)13(24)22-11(14(25)27-8)9-28-16(2,3)4/h10-12H,9H2,1-8H3,(H,22,24)(H,23,26)/t10-,11+,12+/m1/s1
InChIKey BCGFOSZRAYWCAU-WOPDTQHZSA-N
Molecular Weight 428.449 g/mol
SMILES C(=O)(OC)[C@](COC(C)(C)C)(NC(=O)[C@]([C@](C(F)(F)F)(C)[H])(NC(=O)OC(C)(C)C)[H])[H]