Dataset

high resolution fast-atom bombardment mass spectrometry (HRFABMS)

Chemical Info

InChI	InChI=1S/C22H12O4/c23-11-14-4-3-5-15(12-24)20(14)13-8-9-18-19(10-13)22(26)17-7-2-1-6-16(17)21(18)25/h1-12H
SMILES	O=Cc1cccc(c1c1ccc2c(c1)C(=O)c1c(C2=O)cccc1)C=O
InChI Key	UQRXETXIMQBLAI-UHFFFAOYSA-N
Molecular Formula	C22H12O4
Exact Mass	340.328 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/UQRXETXIMQBLAI-UHFFFAOYSA-N/CHMO0000726
License URL
Source	https://www.chemotion-repository.net/inchikey/UQRXETXIMQBLAI-UHFFFAOYSA-N/CHMO0000726
Version
Author	Mareen Stahlberger
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:41:22.535686
MetadataModified	2024-09-08T01:41:22.535693
MetadataPublished	2023-10-02

Field	Value
Measurement Technique	high resolution fast-atom bombardment mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
168665436	PubChem
The data in this table is sourced from UniChem at EBI.