Dataset

high-resolution mass spectrometry (HRMS)

Chemical Info

InChI	InChI=1S/C16H14O4/c1-9-7-11(15(17)18)3-5-13(9)14-6-4-12(16(19)20)8-10(14)2/h3-8H,1-2H3,(H,17,18)(H,19,20)
SMILES	Cc1cc(ccc1c1ccc(cc1C)C(=O)O)C(=O)O
InChI Key	VUYFKAXNJXFNFA-UHFFFAOYSA-N
Molecular Formula	C16H14O4
Exact Mass	270.280 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/VUYFKAXNJXFNFA-UHFFFAOYSA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/VUYFKAXNJXFNFA-UHFFFAOYSA-N/CHMO0000498
Version
Author	Sylvain Grosjean
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:30:27.145732
MetadataModified	2024-09-07T18:25:29.200199
MetadataPublished	2020-08-06

Field	Value
Measurement Technique	high-resolution mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL68014	SureChEMBL
ZINC000034751637	ZINC
J802.800A	Nikkaji
CB32742808	ChemicalBook
15851781	PubChem
The data in this table is sourced from UniChem at EBI.