Dataset

13C nuclear magnetic resonance spectroscopy (13C 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

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/RATXZHAJRSTYOZ-QZQOTICOSA-N/NMR/13C/CDCl3/100.1
License URL
Source	https://www.chemotion-repository.net/inchikey/RATXZHAJRSTYOZ-QZQOTICOSA-N/NMR/13C/CDCl3/100.1
Version
Author	Andreas Hafner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:43:51.512115
MetadataModified	2024-09-07T13:02:03.419461
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	13C 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.