Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C22H17IN2O4/c1-28-21(26)15-5-3-14(4-6-15)19-12-7-16(22(27)29-2)13-20(19)25-24-18-10-8-17(23)9-11-18/h3-13H,1-2H3
SMILES	COC(=O)c1ccc(c(c1)/N=N/c1ccc(cc1)I)c1ccc(cc1)C(=O)OC
InChI Key	XHGHMVVGJOLVJP-UHFFFAOYSA-N
Molecular Formula	C22H17IN2O4
Exact Mass	500.286 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/XHGHMVVGJOLVJP-UHFFFAOYSA-N/IR.1
License URL
Source	https://www.chemotion-repository.net/inchikey/XHGHMVVGJOLVJP-UHFFFAOYSA-N/IR.1
Version
Author	Patrick Hodapp
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T21:31:28.049124
MetadataModified	2024-09-07T14:03:36.131727
MetadataPublished	2015-05-15
Related Molecule

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
91754996	PubChem
The data in this table is sourced from UniChem at EBI.