Dataset

high-resolution mass spectrometry (HRMS)

Chemical Info

InChI	InChI=1S/C24H22O6/c1-5-11-29-15-19-13-17(23(25)27-3)7-9-21(19)22-10-8-18(24(26)28-4)14-20(22)16-30-12-6-2/h1-2,7-10,13-14H,11-12,15-16H2,3-4H3
SMILES	C#CCOCc1cc(ccc1c1ccc(cc1COCC#C)C(=O)OC)C(=O)OC
InChI Key	NJIBLACJIYRFHP-UHFFFAOYSA-N
Molecular Formula	C24H22O6
Exact Mass	406.428 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/NJIBLACJIYRFHP-UHFFFAOYSA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/NJIBLACJIYRFHP-UHFFFAOYSA-N/CHMO0000498
Version
Author	Sylvain Grosjean
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:27:51.058981
MetadataModified	2024-09-07T18:22:14.603653
MetadataPublished	2020-08-06

Field	Value
Measurement Technique	high-resolution mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
146681761	PubChem
The data in this table is sourced from UniChem at EBI.