Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C22H18O2/c1-15(23)17-3-7-19(8-4-17)21-11-13-22(14-12-21)20-9-5-18(6-10-20)16(2)24/h3-14H,1-2H3
SMILES	CC(=O)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)C(=O)C
InChI Key	LSRWKYYPPBDFRR-UHFFFAOYSA-N
Molecular Formula	C22H18O2
Exact Mass	314.377 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/LSRWKYYPPBDFRR-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/LSRWKYYPPBDFRR-UHFFFAOYSA-N/CHMO0000470
Version
Author	Yannick Matt
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:42:47.793222
MetadataModified	2024-09-07T18:41:55.896934
MetadataPublished	2020-08-26
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
ZINC000016321960	ZINC
SCHEMBL11441494	SureChEMBL
14292267	PubChem
J2.438.080G	Nikkaji
MCULE-7537407465	Mcule
The data in this table is sourced from UniChem at EBI.