Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C25H11F15N2O3/c26-19(27,20(28,29)21(30,31)22(32,33)23(34,35)24(36,37)25(38,39)40)18(45)41-15-10-4-1-6-12(15)7-5-11-42-16(43)13-8-2-3-9-14(13)17(42)44/h1-4,6,8-10H,11H2,(H,41,45)
SMILES	O=C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Nc1ccccc1C#CCN1C(=O)c2c(C1=O)cccc2
InChI Key	SGHSOLFNZSDAHV-UHFFFAOYSA-N
Molecular Formula	C25H11F15N2O3
Exact Mass	672.342 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/SGHSOLFNZSDAHV-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/SGHSOLFNZSDAHV-UHFFFAOYSA-N/CHMO0000470
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:44:50.568178
MetadataModified	2024-09-07T23:32:23.012889
MetadataPublished	2022-09-15

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
164889731	PubChem
The data in this table is sourced from UniChem at EBI.