Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C20H26F4IN3O4/c1-7-31-17(29)19(21,22)14-9-13(25)10-15(20(23,24)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(I)cc(c1/N=N/N(C(C)C)C(C)C)C(C(=O)OCC)(F)F)(F)F
InChI Key	KFHRZUDZIBYQLK-CYYJNZCTSA-N
Molecular Formula	C20H26F4IN3O4
Exact Mass	575.336 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
  Explore

  • More information
  • Go to resource

• 13c-nuclear-magneti...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/KFHRZUDZIBYQLK-CYYJNZCTSA-N/NMR/13C/CDCl3/100
License URL
Source	https://www.chemotion-repository.net/inchikey/KFHRZUDZIBYQLK-CYYJNZCTSA-N/NMR/13C/CDCl3/100
Version
Author	Andreas Hafner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:39:37.515557
MetadataModified	2024-09-07T12:55:41.923233
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
J3.251.966K	Nikkaji
IPUDII	CCDC
The data in this table is sourced from UniChem at EBI.