Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C20H17IO2/c21-19-12-5-4-11-18(19)20(22)16-9-6-10-17(13-16)23-14-15-7-2-1-3-8-15/h1-13,20,22H,14H2
SMILES	Ic1ccccc1C(c1cccc(c1)OCc1ccccc1)O
InChI Key	PNPXRYJZPWZJOP-UHFFFAOYSA-N
Molecular Formula	C20H17IO2
Exact Mass	416.252 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/PNPXRYJZPWZJOP-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/PNPXRYJZPWZJOP-UHFFFAOYSA-N/IR
Version
Author	Tim Wezeman
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:04:52.592479
MetadataModified	2024-09-07T13:33:17.668143
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
73427508	PubChem
The data in this table is sourced from UniChem at EBI.