Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C22H17NO2/c24-19-7-2-8-21-18(19)13-16-12-15(9-10-20(16)25-21)17-6-1-4-14-5-3-11-23-22(14)17/h1,3-6,9-13,21H,2,7-8H2
SMILES	O=C1CCCC2C1=Cc1cc(ccc1O2)c1cccc2c1nccc2
InChI Key	VGLDSUNITVXWKT-UHFFFAOYSA-N
Molecular Formula	C22H17NO2
Exact Mass	327.376 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/VGLDSUNITVXWKT-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/VGLDSUNITVXWKT-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:16:15.433050
MetadataModified	2024-09-07T15:21:34.910932
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453512	PubChem
The data in this table is sourced from UniChem at EBI.