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Glycylglycine, N-isobutoxycarbonyl-, pentafluorophenylmethyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Glycylglycine, N-isobutoxycarbonyl-, pentafluorophenylmethyl ester
SpectraBase Compound ID Kff1koiN0ea
InChI InChI=1S/C16H17F5N2O5/c1-7(2)5-28-16(26)23-3-9(24)22-4-10(25)27-6-8-11(17)13(19)15(21)14(20)12(8)18/h7H,3-6H2,1-2H3,(H,22,24)(H,23,26)
InChIKey GJTLTDLICKDTQW-UHFFFAOYSA-N
Mol Weight 412.31 g/mol
Molecular Formula C16H17F5N2O5
Exact Mass 412.105762 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ngXYdVVqsf
Name Glycylglycine, N-isobutoxycarbonyl-, pentafluorophenylmethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 412.105762465 u
Formula C16H17F5N2O5
InChI InChI=1S/C16H17F5N2O5/c1-7(2)5-28-16(26)23-3-9(24)22-4-10(25)27-6-8-11(17)13(19)15(21)14(20)12(8)18/h7H,3-6H2,1-2H3,(H,22,24)(H,23,26)
InChIKey GJTLTDLICKDTQW-UHFFFAOYSA-N
Molecular Weight 412.313 g/mol
SMILES C(COC(=O)NCC(NCC(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O)=O)(C)C