For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Tryptophan, N-trifluoroacetyl-6-nitro-, methyl ester

View entire compound with spectra: 1 NMR

Tryptophan, N-trifluoroacetyl-6-nitro-, methyl ester
SpectraBase Compound ID 2wjKsEVITFw
InChI InChI=1S/C14H12F3N3O5/c1-25-12(21)11(19-13(22)14(15,16)17)4-7-6-18-10-5-8(20(23)24)2-3-9(7)10/h2-3,5-6,11,18H,4H2,1H3,(H,19,22)
InChIKey OCNQBQAJSIVGGB-UHFFFAOYSA-N
Mol Weight 359.26 g/mol
Molecular Formula C14H12F3N3O5
Exact Mass 359.072905 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID H5ktCa3r8rm
Name Tryptophan, N-trifluoroacetyl-6-nitro-, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 359.072904982 u
Formula C14H12F3N3O5
InChI InChI=1S/C14H12F3N3O5/c1-25-12(21)11(19-13(22)14(15,16)17)4-7-6-18-10-5-8(20(23)24)2-3-9(7)10/h2-3,5-6,11,18H,4H2,1H3,(H,19,22)
InChIKey OCNQBQAJSIVGGB-UHFFFAOYSA-N
Molecular Weight 359.261 g/mol
SMILES C12=C(C=CC(=C2)N(=O)=O)C(CC(NC(=O)C(F)(F)F)C(=O)OC)=CN1