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L-Ornithine, N2,N5-bis(trifluoroacetyl)-, butyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

L-Ornithine, N2,N5-bis(trifluoroacetyl)-, butyl ester
SpectraBase Compound ID GBRzpmZ5m9j
InChI InChI=1S/C13H18F6N2O4/c1-2-3-7-25-9(22)8(21-11(24)13(17,18)19)5-4-6-20-10(23)12(14,15)16/h8H,2-7H2,1H3,(H,20,23)(H,21,24)
InChIKey LMGYQYJQQMTKTR-UHFFFAOYSA-N
Mol Weight 380.29 g/mol
Molecular Formula C13H18F6N2O4
Exact Mass 380.117076 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9H7rErmavXW
Name L-Ornithine, N2,N5-bis(trifluoroacetyl)-, butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 380.117076042 u
Formula C13H18F6N2O4
InChI InChI=1S/C13H18F6N2O4/c1-2-3-7-25-9(22)8(21-11(24)13(17,18)19)5-4-6-20-10(23)12(14,15)16/h8H,2-7H2,1H3,(H,20,23)(H,21,24)
InChIKey LMGYQYJQQMTKTR-UHFFFAOYSA-N
Molecular Weight 380.287 g/mol
SMILES [C@](NC(C(F)(F)F)=O)(C(OCCCC)=O)(CCCNC(C(F)(F)F)=O)[H]