Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C26H31NO3/c1-3-4-10-26(11-6-5-7-12-26)21-16-23(29-2)22-15-20(25(28)30-24(22)17-21)14-19-9-8-13-27-18-19/h8-9,13,15-18H,3-7,10-12,14H2,1-2H3
SMILES	CCCCC1(CCCCC1)c1cc(OC)c2c(c1)oc(=O)c(c2)Cc1cccnc1
InChI Key	WLARPCSIGDFHLM-UHFFFAOYSA-N
Molecular Formula	C26H31NO3
Exact Mass	405.529 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WLARPCSIGDFHLM-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/WLARPCSIGDFHLM-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:19:23.305860
MetadataModified	2024-09-07T15:26:09.997192
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453558	PubChem
CHEMBL4852990	ChEMBL
The data in this table is sourced from UniChem at EBI.