Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C21H13F3N2O4/c22-21(23,24)16-3-1-2-4-17(16)25-26-18-11-14(20(29)30)9-10-15(18)12-5-7-13(8-6-12)19(27)28/h1-11H,(H,27,28)(H,29,30)/b26-25+
SMILES	OC(=O)c1ccc(c(c1)/N=N/c1ccccc1C(F)(F)F)c1ccc(cc1)C(=O)O
InChI Key	HEXMLLSEKCMAHU-OCEACIFDSA-N
Molecular Formula	C21H13F3N2O4
Exact Mass	414.334 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/HEXMLLSEKCMAHU-OCEACIFDSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/HEXMLLSEKCMAHU-OCEACIFDSA-N/Mass
Version
Author	Sylvain Grosjean
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:06:19.116818
MetadataModified	2024-09-07T15:06:59.375778
MetadataPublished	2019-04-29

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.