Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C16H5ClF15N3O/c17-7-8(34-6-4-2-1-3-5(6)33-7)35-9(36)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)32/h1-4H,(H,34,35,36)
SMILES O=C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Nc1nc2ccccc2nc1Cl
InChI Key MUJBJGJPXJYYLG-UHFFFAOYSA-N
Molecular Formula C16H5ClF15N3O
Exact Mass 575.659 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MUJBJGJPXJYYLG-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/MUJBJGJPXJYYLG-UHFFFAOYSA-N/CHMO0000597
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T05:24:10.582498
MetadataModified 2024-09-07T20:52:37.542559
MetadataPublished 2021-12-26
Field Value
Measurement Technique 19F nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
162369942 PubChem
The data in this table is sourced from UniChem at EBI.