Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C17H22O4/c1-4-5-6-7-8-12-9-14-15(20-3)10-13(19-2)11-16(14)21-17(12)18/h9-11H,4-8H2,1-3H3
SMILES	CCCCCCc1cc2c(OC)cc(cc2oc1=O)OC
InChI Key	HKOMTRHOCRIMSR-UHFFFAOYSA-N
Molecular Formula	C17H22O4
Exact Mass	290.354 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/HKOMTRHOCRIMSR-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/HKOMTRHOCRIMSR-UHFFFAOYSA-N/IR
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:20:52.894576
MetadataModified	2024-09-07T15:28:22.788788
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453596	PubChem
The data in this table is sourced from UniChem at EBI.