Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C13H24O4/c1-2-3-4-5-6-7-8-9-10-17-13(16)11-12(14)15/h2-11H2,1H3,(H,14,15)
SMILES	CCCCCCCCCCOC(=O)CC(=O)O
InChI Key	NFJLFLMILACWJR-UHFFFAOYSA-N
Molecular Formula	C13H24O4
Exact Mass	244.327 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/NFJLFLMILACWJR-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/NFJLFLMILACWJR-UHFFFAOYSA-N/IR
Version
Author	Christina Belenki
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:51:25.500696
MetadataModified	2024-09-07T13:13:14.684055
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
454073	PubChem
SCHEMBL3711324	SureChEMBL
The data in this table is sourced from UniChem at EBI.