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/C16H20ClF4N3O2/c1-9(2)24(10(3)4)23-22-13-7-6-11(17)8-12(13)15(18,14(25)26-5)16(19,20)21/h6-10H,1-5H3/b23-22+
SMILES COC(=O)C(C(F)(F)F)(c1cc(Cl)ccc1/N=N/N(C(C)C)C(C)C)F
InChI Key IKHYFLZINIMZLK-GHVJWSGMSA-N
Molecular Formula C16H20ClF4N3O2
Exact Mass 397.796 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IKHYFLZINIMZLK-GHVJWSGMSA-N/NMR/1H/CDCl3/400
License URL
Source https://www.chemotion-repository.net/inchikey/IKHYFLZINIMZLK-GHVJWSGMSA-N/NMR/1H/CDCl3/400
Version
Author Andreas Hafner
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:43:11.141713
MetadataModified 2024-09-07T13:01:02.195217
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
J3.193.370F Nikkaji
The data in this table is sourced from UniChem at EBI.