Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C26H29FO3/c1-2-3-11-26(12-5-4-6-13-26)20-16-23(28)22-15-19(25(29)30-24(22)17-20)14-18-7-9-21(27)10-8-18/h7-10,15-17,28H,2-6,11-14H2,1H3
SMILES	CCCCC1(CCCCC1)c1cc(O)c2c(c1)oc(=O)c(c2)Cc1ccc(cc1)F
InChI Key	WXYYSSSCNJHNCK-UHFFFAOYSA-N
Molecular Formula	C26H29FO3
Exact Mass	408.505 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WXYYSSSCNJHNCK-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/WXYYSSSCNJHNCK-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:27:56.467862
MetadataModified	2024-09-07T15:38:58.448187
MetadataPublished	2019-06-27
Related Molecule

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453697	PubChem
The data in this table is sourced from UniChem at EBI.