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

*Links on SpectraBase are not permalinks.
6-Chloro-3-(1,1,2,2,2-pentafluoroethyl)[1,2,4]triazolo[3,4-a]phthalazine
SpectraBase Compound ID KDSKWtSC45C
InChI InChI=1S/C11H4ClF5N4/c12-7-5-3-1-2-4-6(5)8-18-19-9(21(8)20-7)10(13,14)11(15,16)17/h1-4H
InChIKey DODXWWKUGVVXJS-UHFFFAOYSA-N
Mol Weight 322.63 g/mol
Molecular Formula C11H4ClF5N4
Exact Mass 322.004465 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID GQyoeXnhIwM
Name [1,2,4]triazolo[3,4-a]phthalazine, 6-chloro-3-(1,1,2,2,2-pentafluoroethyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.004464660 u
Formula C11H4ClF5N4
InChI InChI=1S/C11H4ClF5N4/c12-7-5-3-1-2-4-6(5)8-18-19-9(21(8)20-7)10(13,14)11(15,16)17/h1-4H
InChIKey DODXWWKUGVVXJS-UHFFFAOYSA-N
Molecular Weight 322.626 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4041
Solvent DMSO-d6
Source Vendor ID: NMR/9244902; Lab Info: AS; Lab Number: AS-0000217