Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C23H22O/c1-24-22-14-12-21(13-15-22)23-16-19-7-6-17-2-4-18(5-3-17)8-10-20(23)11-9-19/h2-5,9,11-16H,6-8,10H2,1H3
SMILES	COc1ccc(cc1)c1cc2CCc3ccc(CCc1cc2)cc3
InChI Key	HABAMUPGSLMADN-UHFFFAOYSA-N
Molecular Formula	C23H22O
Exact Mass	314.420 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/HABAMUPGSLMADN-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/HABAMUPGSLMADN-UHFFFAOYSA-N/CHMO0000470
Version
Author	Daniel Knoll
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:54:28.322230
MetadataModified	2024-09-07T16:16:50.895401
MetadataPublished	2019-12-22

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
J1.043.513G	Nikkaji
14920996	PubChem
The data in this table is sourced from UniChem at EBI.