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

*Links on SpectraBase are not permalinks.

4-[(alpha,alpha,alpha-Trifluoro-m-toluidino)methyl]-1(2H)-phthalazinone

View entire compound with spectra: 2 NMR, and 1 FTIR

4-[(alpha,alpha,alpha-Trifluoro-m-toluidino)methyl]-1(2H)-phthalazinone
SpectraBase Compound ID D2E9cMEF8Fv
InChI InChI=1S/C16H12F3N3O/c17-16(18,19)10-4-3-5-11(8-10)20-9-14-12-6-1-2-7-13(12)15(23)22-21-14/h1-8,20H,9H2,(H,22,23)
InChIKey ODFUMZBGOYJHIQ-UHFFFAOYSA-N
Mol Weight 319.29 g/mol
Molecular Formula C16H12F3N3O
Exact Mass 319.093247 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 KNByURKNm8m
Name 4-[(alpha,alpha,alpha-Trifluoro-m-toluidino)methyl]-1(2H)-phthalazinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 319.093246506 u
Formula C16H12F3N3O
InChI InChI=1S/C16H12F3N3O/c17-16(18,19)10-4-3-5-11(8-10)20-9-14-12-6-1-2-7-13(12)15(23)22-21-14/h1-8,20H,9H2,(H,22,23)
InChIKey ODFUMZBGOYJHIQ-UHFFFAOYSA-N
Molecular Weight 319.287 g/mol
SMILES N1N=C(CNC=2C=C(C=CC2)C(F)(F)F)C=2C=CC=CC2C1=O