Dataset

high-resolution mass spectrometry (HRMS)

Chemical Info

InChI	InChI=1S/C22H18O4/c1-13-11-17(21(23)24)7-9-19(13)15-3-5-16(6-4-15)20-10-8-18(22(25)26)12-14(20)2/h3-12H,1-2H3,(H,23,24)(H,25,26)
SMILES	Cc1cc(ccc1c1ccc(cc1)c1ccc(cc1C)C(=O)O)C(=O)O
InChI Key	FQIBTEMKVHZJKB-UHFFFAOYSA-N
Molecular Formula	C22H18O4
Exact Mass	346.376 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/FQIBTEMKVHZJKB-UHFFFAOYSA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/FQIBTEMKVHZJKB-UHFFFAOYSA-N/CHMO0000498
Version
Author	Sylvain Grosjean
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:22:02.885949
MetadataModified	2024-09-07T18:14:34.475733
MetadataPublished	2020-06-16

Field	Value
Measurement Technique	high-resolution mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145711939	PubChem
CB65423398	ChemicalBook
The data in this table is sourced from UniChem at EBI.