Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C32H32O4/c1-33-27-15-25(16-28(19-27)34-2)31-13-21-5-9-23(31)11-7-22-6-10-24(12-8-21)32(14-22)26-17-29(35-3)20-30(18-26)36-4/h5-6,9-10,13-20H,7-8,11-12H2,1-4H3
SMILES	COc1cc(OC)cc(c1)c1cc2CCc3ccc(CCc1cc2)cc3c1cc(OC)cc(c1)OC
InChI Key	HRZVVRDBDIHCIY-UHFFFAOYSA-N
Molecular Formula	C32H32O4
Exact Mass	480.594 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/HRZVVRDBDIHCIY-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/HRZVVRDBDIHCIY-UHFFFAOYSA-N/CHMO0000470
Version
Author	Yichuan Wang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T00:51:38.276779
MetadataModified	2024-09-08T00:51:38.276784
MetadataPublished	2023-04-07

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
168008334	PubChem
The data in this table is sourced from UniChem at EBI.