Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C24H22O/c1-17(25)21-12-14-23(15-13-21)24-16-20-7-6-18-2-4-19(5-3-18)8-10-22(24)11-9-20/h2-5,9,11-16H,6-8,10H2,1H3
SMILES	CC(=O)c1ccc(cc1)c1cc2CCc3ccc(CCc1cc2)cc3
InChI Key	NYCQKGNYRLKILL-UHFFFAOYSA-N
Molecular Formula	C24H22O
Exact Mass	326.431 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/NYCQKGNYRLKILL-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/NYCQKGNYRLKILL-UHFFFAOYSA-N/CHMO0000470
Version
Author	Daniel Knoll
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:54:57.408853
MetadataModified	2024-09-07T16:17:48.473312
MetadataPublished	2019-12-22

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
14920997	PubChem
SCHEMBL22095825	SureChEMBL
The data in this table is sourced from UniChem at EBI.