Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C16H26O3/c1-5-6-7-8-9-16(2,17)13-10-14(18-3)12-15(11-13)19-4/h10-12,17H,5-9H2,1-4H3
SMILES	CCCCCCC(c1cc(OC)cc(c1)OC)(O)C
InChI Key	CXILEJFXOWTLBU-UHFFFAOYSA-N
Molecular Formula	C16H26O3
Exact Mass	266.376 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/CXILEJFXOWTLBU-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/CXILEJFXOWTLBU-UHFFFAOYSA-N/IR
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:25:44.051161
MetadataModified	2024-09-07T15:35:44.583632
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL9080244	SureChEMBL
18982674	PubChem
The data in this table is sourced from UniChem at EBI.