Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C20H18O3/c1-22-16-8-5-13(6-9-16)14-7-10-19-15(11-14)12-17-18(21)3-2-4-20(17)23-19/h5-12,20H,2-4H2,1H3
SMILES	COc1ccc(cc1)c1ccc2c(c1)C=C1C(O2)CCCC1=O
InChI Key	AYYOVYJUIJIFLD-UHFFFAOYSA-N
Molecular Formula	C20H18O3
Exact Mass	306.355 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/AYYOVYJUIJIFLD-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/AYYOVYJUIJIFLD-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:16:05.949340
MetadataModified	2024-09-07T15:21:21.965136
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453511	PubChem
The data in this table is sourced from UniChem at EBI.