Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C7H4ClIO2/c8-9-6-4-2-1-3-5(6)7(10)11-9/h1-4H
SMILES	O=C1O[I](c2c1cccc2)Cl
InChI Key	XSZMFYQLHGJKKD-UHFFFAOYSA-N
Molecular Formula	C7H4ClIO2
Exact Mass	282.463 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/XSZMFYQLHGJKKD-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/XSZMFYQLHGJKKD-UHFFFAOYSA-N/CHMO0000593
Version
Author	João Macara
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T08:09:54.426397
MetadataModified	2024-09-08T00:05:20.624854
MetadataPublished	2023-01-02
Related Molecule

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

Data-Source Molecule ID	Data-Source
59457-26-0	ACToR
81047563	PubChem: Thomson Pharma
DTXSID10307532	EPA CompTox Dashboard
CBIOXO	CCDC
J2.703.093I	Nikkaji
303537	PubChem
The data in this table is sourced from UniChem at EBI.