Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C24H24O7/c1-13-5-7-15(8-6-13)20-14(2)11-17(28-3)21-16(25)12-24(23(27)29-4,31-22(20)21)18-9-10-19(26)30-18/h5-8,11,18H,9-10,12H2,1-4H3
SMILES	COC(=O)C1(CC(=O)c2c(O1)c(c1ccc(cc1)C)c(cc2OC)C)C1CCC(=O)O1
InChI Key	QVZNKTRSMJDUSI-UHFFFAOYSA-N
Molecular Formula	C24H24O7
Exact Mass	424.443 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QVZNKTRSMJDUSI-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/QVZNKTRSMJDUSI-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:17:20.158668
MetadataModified	2024-09-07T15:23:12.692017
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453526	PubChem
The data in this table is sourced from UniChem at EBI.