Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C17H15F6N5/c1-9(2)28-8-27-13-14(25-7-26-15(13)28)24-6-10-3-11(16(18,19)20)5-12(4-10)17(21,22)23/h3-5,7-9H,6H2,1-2H3,(H,24,25,26)
SMILES CC(n1cnc2c1ncnc2NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C
InChI Key OTDDRQAYVRAWGQ-UHFFFAOYSA-N
Molecular Formula C17H15F6N5
Exact Mass 403.325 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OTDDRQAYVRAWGQ-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source https://www.chemotion-repository.net/inchikey/OTDDRQAYVRAWGQ-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:41:21.484347
MetadataModified 2024-09-07T12:04:18.388656
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
73427284 PubChem
The data in this table is sourced from UniChem at EBI.