Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C27H23NO3/c1-3-5-15-28-18-24(23-17-20(13-14-25(23)28)27(30)31-16-4-2)26(29)22-12-8-10-19-9-6-7-11-21(19)22/h2,6-14,17-18H,3,5,15-16H2,1H3
SMILES	CCCCn1cc(c2c1ccc(c2)C(=O)OCC#C)C(=O)c1cccc2c1cccc2
InChI Key	KCNZPSQLRZPNOG-UHFFFAOYSA-N
Molecular Formula	C27H23NO3
Exact Mass	409.476 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/KCNZPSQLRZPNOG-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/KCNZPSQLRZPNOG-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:24:24.735428
MetadataModified	2024-09-07T15:33:35.221030
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453646	PubChem
The data in this table is sourced from UniChem at EBI.