Dataset

high-resolution electrospray ionisation mass spectrometry (HRESIMS)

Chemical Info

InChI	InChI=1S/C15H16O5/c1-19-14(17)12-7-8-13(15(18)20-2)11(10-12)6-4-3-5-9-16/h7-8,10,16H,3,5,9H2,1-2H3
SMILES	COC(=O)c1ccc(cc1C#CCCCO)C(=O)OC
InChI Key	YPLVDFDRCDRLFB-UHFFFAOYSA-N
Molecular Formula	C15H16O5
Exact Mass	276.285 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/YPLVDFDRCDRLFB-UHFFFAOYSA-N/CHMO0000485
License URL
Source	https://www.chemotion-repository.net/inchikey/YPLVDFDRCDRLFB-UHFFFAOYSA-N/CHMO0000485
Version
Author	Irina Balova
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T08:24:55.575442
MetadataModified	2024-09-08T00:24:38.679448
MetadataPublished	2023-02-16

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

Data-Source Molecule ID	Data-Source
166625042	PubChem
The data in this table is sourced from UniChem at EBI.