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Tryptophan, N,N'-di-tfa-, methyl ester

View entire compound with spectra: 1 NMR

Tryptophan, N,N'-di-tfa-, methyl ester
SpectraBase Compound ID 8p0oP4uUjnA
InChI InChI=1S/C16H12F6N2O4/c1-28-12(25)10(23-13(26)15(17,18)19)6-8-7-24(14(27)16(20,21)22)11-5-3-2-4-9(8)11/h2-5,7,10H,6H2,1H3,(H,23,26)
InChIKey JIEHTAVFXWLOCB-UHFFFAOYSA-N
Mol Weight 410.27 g/mol
Molecular Formula C16H12F6N2O4
Exact Mass 410.070126 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9riJyH4AwOC
Name Tryptophan, N,N'-di-tfa-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 410.070125848 u
Formula C16H12F6N2O4
InChI InChI=1S/C16H12F6N2O4/c1-28-12(25)10(23-13(26)15(17,18)19)6-8-7-24(14(27)16(20,21)22)11-5-3-2-4-9(8)11/h2-5,7,10H,6H2,1H3,(H,23,26)
InChIKey JIEHTAVFXWLOCB-UHFFFAOYSA-N
Molecular Weight 410.272 g/mol
SMILES C12=C(C=CC=C2)C(CC(NC(=O)C(F)(F)F)C(OC)=O)=CN1C(=O)C(F)(F)F