Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C20H20N2O2/c23-15(12-21-13-16-6-5-11-24-16)14-22-19-9-3-1-7-17(19)18-8-2-4-10-20(18)22/h1-11,15,21,23H,12-14H2
SMILES	OC(Cn1c2ccccc2c2c1cccc2)CNCc1ccco1
InChI Key	PWDXMUGOYSJNDS-UHFFFAOYSA-N
Molecular Formula	C20H20N2O2
Exact Mass	320.385 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/PWDXMUGOYSJNDS-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/PWDXMUGOYSJNDS-UHFFFAOYSA-N/IR
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:04:25.450745
MetadataModified	2024-09-07T13:32:37.497637
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
1056392	eMolecules
CHEMBL1342330	ChEMBL
MCULE-7731455720	Mcule
SCHEMBL15380477	SureChEMBL
652652	PubChem
The data in this table is sourced from UniChem at EBI.