Dataset

electron ionisation mass spectrometry (EI-MS)

Chemical Info

InChI	InChI=1S/C22H24F2O5/c1-3-27-20(25)14-7-16-5-8-17(9-6-16)22(23,24)18-10-12-19(13-11-18)29-15-21(26)28-4-2/h5-6,8-13H,3-4,7,14-15H2,1-2H3
SMILES	CCOC(=O)CCc1ccc(cc1)C(c1ccc(cc1)OCC(=O)OCC)(F)F
InChI Key	YWQWKTBMAGMMMM-UHFFFAOYSA-N
Molecular Formula	C22H24F2O5
Exact Mass	406.420 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/YWQWKTBMAGMMMM-UHFFFAOYSA-N/Mass/EI.1
License URL
Source	https://www.chemotion-repository.net/inchikey/YWQWKTBMAGMMMM-UHFFFAOYSA-N/Mass/EI.1
Version
Author	Frederic Witkind Hirth
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T21:20:10.425766
MetadataModified	2024-09-07T13:45:48.430663
MetadataPublished	2014-08-19

Field	Value
Measurement Technique	electron ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
77014274	PubChem
The data in this table is sourced from UniChem at EBI.