Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C32H28O4/c1-35-31(33)27-15-11-25(12-16-27)29-19-21-3-7-23(29)9-5-22-4-8-24(10-6-21)30(20-22)26-13-17-28(18-14-26)32(34)36-2/h3-4,7-8,11-20H,5-6,9-10H2,1-2H3
SMILES	COC(=O)c1ccc(cc1)c1cc2CCc3ccc(CCc1cc2)cc3c1ccc(cc1)C(=O)OC
InChI Key	CWGBQONHKMFZSZ-UHFFFAOYSA-N
Molecular Formula	C32H28O4
Exact Mass	476.562 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/CWGBQONHKMFZSZ-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/CWGBQONHKMFZSZ-UHFFFAOYSA-N/CHMO0000470
Version
Author	Yichuan Wang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T00:49:42.401806
MetadataModified	2024-09-08T00:49:42.401812
MetadataPublished	2023-04-03

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
168008331	PubChem
The data in this table is sourced from UniChem at EBI.