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o-tfe-N-tfa-Aspartylglycine ethyl ester

View entire compound with spectra: 1 NMR

o-tfe-N-tfa-Aspartylglycine ethyl ester
SpectraBase Compound ID 6TQ6wY1D9Z2
InChI InChI=1S/C12H14F6N2O6/c1-2-25-8(22)4-19-9(23)6(20-10(24)12(16,17)18)3-7(21)26-5-11(13,14)15/h6H,2-5H2,1H3,(H,19,23)(H,20,24)
InChIKey ZAQZYLGVTGXVLC-UHFFFAOYSA-N
Mol Weight 396.24 g/mol
Molecular Formula C12H14F6N2O6
Exact Mass 396.075605 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AOXf0lrausD
Name o-tfe-N-tfa-Aspartylglycine ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.075605151 u
Formula C12H14F6N2O6
InChI InChI=1S/C12H14F6N2O6/c1-2-25-8(22)4-19-9(23)6(20-10(24)12(16,17)18)3-7(21)26-5-11(13,14)15/h6H,2-5H2,1H3,(H,19,23)(H,20,24)
InChIKey ZAQZYLGVTGXVLC-UHFFFAOYSA-N
Molecular Weight 396.242 g/mol
SMILES C(OC(CC(C(NCC(OCC)=O)=O)NC(=O)C(F)(F)F)=O)C(F)(F)F