Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C20H28O3/c1-6-7-8-9-10-15-12-16-18(13(2)3)17(22-5)11-14(4)19(16)23-20(15)21/h11-13H,6-10H2,1-5H3
SMILES	CCCCCCc1cc2c(C(C)C)c(OC)cc(c2oc1=O)C
InChI Key	QOKJNFWCCDTPFA-UHFFFAOYSA-N
Molecular Formula	C20H28O3
Exact Mass	316.435 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QOKJNFWCCDTPFA-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/QOKJNFWCCDTPFA-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:22:02.901039
MetadataModified	2024-09-07T15:30:06.142127
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453609	PubChem
The data in this table is sourced from UniChem at EBI.