Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C28H21NO3/c30-27-21-13-7-8-14-22(21)28(31)26-24(32-18-20-11-5-2-6-12-20)16-15-23(25(26)27)29-17-19-9-3-1-4-10-19/h1-16,29H,17-18H2
SMILES	O=C1c2c(OCc3ccccc3)ccc(c2C(=O)c2c1cccc2)NCc1ccccc1
InChI Key	GQQCMSAXSHZGDN-UHFFFAOYSA-N
Molecular Formula	C28H21NO3
Exact Mass	419.471 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/GQQCMSAXSHZGDN-UHFFFAOYSA-N/IR.1
License URL
Source	https://www.chemotion-repository.net/inchikey/GQQCMSAXSHZGDN-UHFFFAOYSA-N/IR.1
Version
Author	Irina Protasova
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T21:25:56.231065
MetadataModified	2024-09-07T13:54:46.783389
MetadataPublished	2014-09-26
Related Molecule

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
78210307	PubChem
The data in this table is sourced from UniChem at EBI.