Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C18H14O6/c1-23-17(21)13-7-3-5-11(9-13)15(19)16(20)12-6-4-8-14(10-12)18(22)24-2/h3-10H,1-2H3
SMILES	COC(=O)c1cccc(c1)C(=O)C(=O)c1cccc(c1)C(=O)OC
InChI Key	QEPVMXNPUMUHDF-UHFFFAOYSA-N
Molecular Formula	C18H14O6
Exact Mass	326.300 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/QEPVMXNPUMUHDF-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/QEPVMXNPUMUHDF-UHFFFAOYSA-N/CHMO0000470
Version
Author	Simon Oßwald
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:48:06.968859
MetadataModified	2024-09-07T17:28:22.506301
MetadataPublished	2020-04-07

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
101810264	PubChem
J2.973.685E	Nikkaji
The data in this table is sourced from UniChem at EBI.