Dataset

electron ionisation mass spectrometry (EI-MS)

Chemical Info

InChI	InChI=1S/C20H20O3/c1-12-6-8-14-15(4-3-5-18(14)21)20-16-10-13(22-2)7-9-19(16)23-11-17(12)20/h6-7,9-10H,3-5,8,11H2,1-2H3
SMILES	COc1ccc2c(c1)C1=C(CO2)C(=CCC2=C1CCCC2=O)C
InChI Key	OGNYTPAOQCTQQD-UHFFFAOYSA-N
Molecular Formula	C20H20O3
Exact Mass	308.371 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/OGNYTPAOQCTQQD-UHFFFAOYSA-N/Mass/EI
License URL
Source	https://www.chemotion-repository.net/inchikey/OGNYTPAOQCTQQD-UHFFFAOYSA-N/Mass/EI
Version
Author	Kye-Simeon Masters
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:23:20.336792
MetadataModified	2024-09-07T12:31:16.031733
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	electron ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
73427414	PubChem
J2.659.653J	Nikkaji
The data in this table is sourced from UniChem at EBI.