Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C24H23IO4/c1-16-10-17(2)13-20(12-16)23(26)28-25(22-8-6-5-7-9-22)29-24(27)21-14-18(3)11-19(4)15-21/h5-15H,1-4H3
SMILES	Cc1cc(C)cc(c1)C(=O)O[I](c1ccccc1)OC(=O)c1cc(C)cc(c1)C
InChI Key	BDGLYIFQHWPHGI-UHFFFAOYSA-N
Molecular Formula	C24H23IO4
Exact Mass	502.341 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/BDGLYIFQHWPHGI-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/BDGLYIFQHWPHGI-UHFFFAOYSA-N/IR
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:26:57.771818
MetadataModified	2024-09-07T15:37:34.702683
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453685	PubChem
The data in this table is sourced from UniChem at EBI.