Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C9H8INO/c1-2-9(12)11-8-5-3-7(10)4-6-8/h2-6H,1H2,(H,11,12)
SMILES	C=CC(=O)Nc1ccc(cc1)I
InChI Key	YOVKKEFXBXCYQV-UHFFFAOYSA-N
Molecular Formula	C9H8INO
Exact Mass	273.070 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/YOVKKEFXBXCYQV-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/YOVKKEFXBXCYQV-UHFFFAOYSA-N/Mass
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:40:29.418611
MetadataModified	2024-09-07T14:29:56.025822
MetadataPublished	2018-06-25

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
J3.325.022C	Nikkaji
CHEMBL1171874	ChEMBL
43405538	PubChem
99220680	PubChem: Thomson Pharma
SCHEMBL19393388	SureChEMBL
The data in this table is sourced from UniChem at EBI.