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/C13H17ClF3N3/c1-8(2)20(9(3)4)19-18-12-7-10(13(15,16)17)5-6-11(12)14/h5-9H,1-4H3/b19-18+
SMILES CC(N(C(C)C)/N=N/c1cc(ccc1Cl)C(F)(F)F)C
InChI Key PJTXEZJKFHIIIH-VHEBQXMUSA-N
Molecular Formula C13H17ClF3N3
Exact Mass 307.742 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PJTXEZJKFHIIIH-VHEBQXMUSA-N/NMR/1H/CDCL3/400
License URL
Source https://www.chemotion-repository.net/inchikey/PJTXEZJKFHIIIH-VHEBQXMUSA-N/NMR/1H/CDCL3/400
Version
Author Andreas Hafner
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:36:35.662827
MetadataModified 2024-09-07T11:57:04.084539
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables