Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C24H22O4/c1-15-13-19(23(25)27-3)9-11-21(15)17-5-7-18(8-6-17)22-12-10-20(14-16(22)2)24(26)28-4/h5-14H,1-4H3
SMILES	COC(=O)c1ccc(c(c1)C)c1ccc(cc1)c1ccc(cc1C)C(=O)OC
InChI Key	JBHUSSAUBJVUJG-UHFFFAOYSA-N
Molecular Formula	C24H22O4
Exact Mass	374.429 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/JBHUSSAUBJVUJG-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/JBHUSSAUBJVUJG-UHFFFAOYSA-N/CHMO0000470
Version
Author	Sylvain Grosjean
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:27:59.489999
MetadataModified	2024-09-07T18:22:33.893360
MetadataPublished	2020-08-06

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
138453821	PubChem
The data in this table is sourced from UniChem at EBI.