Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C21H22O5/c1-4-9-25-17-12-19(24-3)18-11-15(21(22)26-20(18)13-17)10-14-5-7-16(23-2)8-6-14/h5-8,11-13H,4,9-10H2,1-3H3
SMILES	CCCOc1cc(OC)c2c(c1)oc(=O)c(c2)Cc1ccc(cc1)OC
InChI Key	KINXQWUYAKYGKT-UHFFFAOYSA-N
Molecular Formula	C21H22O5
Exact Mass	354.396 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/KINXQWUYAKYGKT-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/KINXQWUYAKYGKT-UHFFFAOYSA-N/IR
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:20:41.042027
MetadataModified	2024-09-07T15:28:05.471571
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453592	PubChem
The data in this table is sourced from UniChem at EBI.