Dataset

high-resolution mass spectrometry (HRMS)

Chemical Info

InChI	InChI=1S/C16H13IO4/c1-20-15(18)11-5-3-10(4-6-11)13-8-7-12(9-14(13)17)16(19)21-2/h3-9H,1-2H3
SMILES	COC(=O)c1ccc(cc1)c1ccc(cc1I)C(=O)OC
InChI Key	ONIUKMSKPOWDMZ-UHFFFAOYSA-N
Molecular Formula	C16H13IO4
Exact Mass	396.176 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ONIUKMSKPOWDMZ-UHFFFAOYSA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/ONIUKMSKPOWDMZ-UHFFFAOYSA-N/CHMO0000498
Version
Author	Sylvain Grosjean
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:30:03.722573
MetadataModified	2024-09-07T18:25:11.188824
MetadataPublished	2020-08-06

Field	Value
Measurement Technique	high-resolution mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
101180954	PubChem
QUJTOH	CCDC
J1.739.547E	Nikkaji
The data in this table is sourced from UniChem at EBI.