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/C20H26BrF4N3O4/c1-7-31-17(29)19(22,23)14-9-13(21)10-15(20(24,25)18(30)32-8-2)16(14)26-27-28(11(3)4)12(5)6/h9-12H,7-8H2,1-6H3/b27-26+
SMILES CCOC(=O)C(c1cc(Br)cc(c1/N=N/N(C(C)C)C(C)C)C(C(=O)OCC)(F)F)(F)F
InChI Key QCCUDQDGUIULAE-CYYJNZCTSA-N
Molecular Formula C20H26BrF4N3O4
Exact Mass 528.336 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QCCUDQDGUIULAE-CYYJNZCTSA-N/NMR/1H/CDCl3/400
License URL
Source https://www.chemotion-repository.net/inchikey/QCCUDQDGUIULAE-CYYJNZCTSA-N/NMR/1H/CDCl3/400
Version
Author Andreas Hafner
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:39:18.705299
MetadataModified 2024-09-07T12:55:13.822115
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
J3.251.967I Nikkaji
The data in this table is sourced from UniChem at EBI.