Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C16H22F2IN3O2/c1-6-24-15(23)16(17,18)13-9-12(19)7-8-14(13)20-21-22(10(2)3)11(4)5/h7-11H,6H2,1-5H3/b21-20+
SMILES	CCOC(=O)C(c1cc(I)ccc1/N=N/N(C(C)C)C(C)C)(F)F
InChI Key	RATXZHAJRSTYOZ-QZQOTICOSA-N
Molecular Formula	C16H22F2IN3O2
Exact Mass	453.266 g/mol

Data and Resources

• 1H nuclear magnetic resonance spectroscopy (1H NMR)HTML
  Explore

  • More information
  • Go to resource

• 1h-nuclear-magnetic...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/RATXZHAJRSTYOZ-QZQOTICOSA-N/NMR/1H/CDCl3/400
License URL
Source	https://www.chemotion-repository.net/inchikey/RATXZHAJRSTYOZ-QZQOTICOSA-N/NMR/1H/CDCl3/400
Version
Author	Andreas Hafner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:43:49.021891
MetadataModified	2024-09-07T13:01:59.951769
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
J3.251.962H	Nikkaji
The data in this table is sourced from UniChem at EBI.