Dataset

high-resolution electrospray ionisation mass spectrometry (HRESIMS)

Chemical Info

InChI	InChI=1S/C18H18O6/c1-22-10-4-5-13-15-11-12(17(20)23-2)7-8-14(15)18(21)24-16(13)6-3-9-19/h7-8,11,19H,3,6,9-10H2,1-2H3
SMILES	OCCCc1oc(=O)c2c(c1C#CCOC)cc(cc2)C(=O)OC
InChI Key	PPLQCTWVGRNGFQ-UHFFFAOYSA-N
Molecular Formula	C18H18O6
Exact Mass	330.332 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/PPLQCTWVGRNGFQ-UHFFFAOYSA-N/CHMO0000485
License URL
Source	https://www.chemotion-repository.net/inchikey/PPLQCTWVGRNGFQ-UHFFFAOYSA-N/CHMO0000485
Version
Author	Irina Balova
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T08:24:44.521727
MetadataModified	2024-09-08T00:24:28.029910
MetadataPublished	2023-02-16

Field	Value
Measurement Technique	high-resolution electrospray ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
166625038	PubChem
The data in this table is sourced from UniChem at EBI.