Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C14H26O4/c1-2-3-4-5-6-7-8-9-10-11-12-18-14(17)13(15)16/h2-12H2,1H3,(H,15,16)
SMILES	CCCCCCCCCCCCOC(=O)C(=O)O
InChI Key	WQTUTNVIOPLRQC-UHFFFAOYSA-N
Molecular Formula	C14H26O4
Exact Mass	258.354 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WQTUTNVIOPLRQC-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/WQTUTNVIOPLRQC-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:10:48.569900
MetadataModified	2024-09-07T15:13:26.426991
MetadataPublished	2019-06-27
Related Molecule

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL2454311	SureChEMBL
21470891	PubChem
The data in this table is sourced from UniChem at EBI.