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

*Links on SpectraBase are not permalinks.

Benzeneethanamine, N-trifluoroacetyl-4,5-dimethoxy-2-nitro-

View entire compound with spectra: 1 NMR

Benzeneethanamine, N-trifluoroacetyl-4,5-dimethoxy-2-nitro-
SpectraBase Compound ID 74kpyrllm0Z
InChI InChI=1S/C12H13F3N2O5/c1-21-9-5-7(3-4-16-11(18)12(13,14)15)8(17(19)20)6-10(9)22-2/h5-6H,3-4H2,1-2H3,(H,16,18)
InChIKey MTNSHJNIWVUGTP-UHFFFAOYSA-N
Mol Weight 322.24 g/mol
Molecular Formula C12H13F3N2O5
Exact Mass 322.077656 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 25iZzV6HZvl
Name Benzeneethanamine, N-trifluoroacetyl-4,5-dimethoxy-2-nitro-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.077656011 u
Formula C12H13F3N2O5
InChI InChI=1S/C12H13F3N2O5/c1-21-9-5-7(3-4-16-11(18)12(13,14)15)8(17(19)20)6-10(9)22-2/h5-6H,3-4H2,1-2H3,(H,16,18)
InChIKey MTNSHJNIWVUGTP-UHFFFAOYSA-N
Molecular Weight 322.240 g/mol
SMILES C1(=C(C=C(C(=C1)OC)OC)CCNC(=O)C(F)(F)F)N(=O)=O