Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C26H18F15NO3/c1-44-11-12-45-13-42-16-10-6-5-9-15(16)17(18(42)14-7-3-2-4-8-14)19(43)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h2-10H,11-13H2,1H3
SMILES	COCCOCn1c(c2ccccc2)c(c2c1cccc2)C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI Key	WQIWYFYIBZMFIJ-UHFFFAOYSA-N
Molecular Formula	C26H18F15NO3
Exact Mass	677.402 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WQIWYFYIBZMFIJ-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/WQIWYFYIBZMFIJ-UHFFFAOYSA-N/CHMO0000470
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:25:55.546864
MetadataModified	2024-09-07T23:07:25.881056
MetadataPublished	2022-09-15

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
164889702	PubChem
The data in this table is sourced from UniChem at EBI.