Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C13H9IO3/c14-11-4-2-1-3-9(11)13(17)10-7-8(15)5-6-12(10)16/h1-7,13,17H
SMILES	O=C1C=CC(=O)C(=C1)C(c1ccccc1I)O
InChI Key	QNFHKZQFACQVJF-UHFFFAOYSA-N
Molecular Formula	C13H9IO3
Exact Mass	340.113 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QNFHKZQFACQVJF-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/QNFHKZQFACQVJF-UHFFFAOYSA-N/IR
Version
Author	Tim Wezeman
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:05:04.924162
MetadataModified	2024-09-07T13:33:35.644444
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
73427509	PubChem
The data in this table is sourced from UniChem at EBI.