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

*Links on SpectraBase are not permalinks.

N(.alpha.)-tfa-2-Trifluoromethyltryptophan, methyl ester

View entire compound with spectra: 1 NMR

N(.alpha.)-tfa-2-Trifluoromethyltryptophan, methyl ester
SpectraBase Compound ID IIeOnIEgQW6
InChI InChI=1S/C15H12F6N2O3/c1-26-12(24)10(23-13(25)15(19,20)21)6-8-7-4-2-3-5-9(7)22-11(8)14(16,17)18/h2-5,10,22H,6H2,1H3,(H,23,25)
InChIKey FIFFMZXFSJJODQ-UHFFFAOYSA-N
Mol Weight 382.26 g/mol
Molecular Formula C15H12F6N2O3
Exact Mass 382.075211 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 11N7cOMQus4
Name N(.alpha.)-tfa-2-Trifluoromethyltryptophan, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.075211229 u
Formula C15H12F6N2O3
InChI InChI=1S/C15H12F6N2O3/c1-26-12(24)10(23-13(25)15(19,20)21)6-8-7-4-2-3-5-9(7)22-11(8)14(16,17)18/h2-5,10,22H,6H2,1H3,(H,23,25)
InChIKey FIFFMZXFSJJODQ-UHFFFAOYSA-N
Molecular Weight 382.262 g/mol
SMILES C12=C(C=CC=C2)C(CC(NC(=O)C(F)(F)F)C(OC)=O)=C(N1)C(F)(F)F