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L-Leucylglycine, N-methoxycarbonyl-, 2,2,3,3,4,4,4-heptafluorobutyl ester

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L-Leucylglycine, N-methoxycarbonyl-, 2,2,3,3,4,4,4-heptafluorobutyl ester
SpectraBase Compound ID 7ANTNI3akkj
InChI InChI=1S/C14H19F7N2O5/c1-7(2)4-8(23-11(26)27-3)10(25)22-5-9(24)28-6-12(15,16)13(17,18)14(19,20)21/h7-8H,4-6H2,1-3H3,(H,22,25)(H,23,26)
InChIKey OYQCYKMSQMWMBG-UHFFFAOYSA-N
Mol Weight 428.3 g/mol
Molecular Formula C14H19F7N2O5
Exact Mass 428.118219 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BDS4AFmVZRS
Name L-Leucylglycine, N-methoxycarbonyl-, 2,2,3,3,4,4,4-heptafluorobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 428.118218856 u
Formula C14H19F7N2O5
InChI InChI=1S/C14H19F7N2O5/c1-7(2)4-8(23-11(26)27-3)10(25)22-5-9(24)28-6-12(15,16)13(17,18)14(19,20)21/h7-8H,4-6H2,1-3H3,(H,22,25)(H,23,26)
InChIKey OYQCYKMSQMWMBG-UHFFFAOYSA-N
Molecular Weight 428.304 g/mol
SMILES C(CC(NC(OC)=O)C(=O)NCC(OCC(C(C(F)(F)F)(F)F)(F)F)=O)(C)C