Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C22H25NO3/c1-13-14(2)21-19(15(3)20(13)25-6)12-17(22(24)26-21)11-16-7-9-18(10-8-16)23(4)5/h7-10,12H,11H2,1-6H3
SMILES	COc1c(C)c2cc(Cc3ccc(cc3)N(C)C)c(=O)oc2c(c1C)C
InChI Key	OTCWHWWKBPCUAS-UHFFFAOYSA-N
Molecular Formula	C22H25NO3
Exact Mass	351.439 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/OTCWHWWKBPCUAS-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/OTCWHWWKBPCUAS-UHFFFAOYSA-N/IR
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:26:17.745099
MetadataModified	2024-09-07T15:36:35.970679
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453677	PubChem
The data in this table is sourced from UniChem at EBI.