Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C20H20O5/c1-4-24-16-11-18(23-3)17-10-14(20(21)25-19(17)12-16)9-13-5-7-15(22-2)8-6-13/h5-8,10-12H,4,9H2,1-3H3
SMILES	CCOc1cc(OC)c2c(c1)oc(=O)c(c2)Cc1ccc(cc1)OC
InChI Key	OMYYMEJCUMGFRZ-UHFFFAOYSA-N
Molecular Formula	C20H20O5
Exact Mass	340.370 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/OMYYMEJCUMGFRZ-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/OMYYMEJCUMGFRZ-UHFFFAOYSA-N/IR
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:25:00.282552
MetadataModified	2024-09-07T15:34:34.203867
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453657	PubChem
The data in this table is sourced from UniChem at EBI.