Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C21H23NO3/c1-3-4-5-7-15-11-19(24-2)18-13-17(21(23)25-20(18)12-15)10-16-8-6-9-22-14-16/h6,8-9,11-14H,3-5,7,10H2,1-2H3
SMILES	CCCCCc1cc(OC)c2c(c1)oc(=O)c(c2)Cc1cccnc1
InChI Key	UPSRDIIVIHYXIY-UHFFFAOYSA-N
Molecular Formula	C21H23NO3
Exact Mass	337.412 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/UPSRDIIVIHYXIY-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/UPSRDIIVIHYXIY-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:17:13.164258
MetadataModified	2024-09-07T15:23:00.297928
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453522	PubChem
CHEMBL4877653	ChEMBL
The data in this table is sourced from UniChem at EBI.