Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C31H20F15NO2/c1-18-7-9-20(10-8-18)17-47(23-6-4-3-5-21(23)14-11-19-12-15-22(49-2)16-13-19)24(48)25(32,33)26(34,35)27(36,37)28(38,39)29(40,41)30(42,43)31(44,45)46/h3-10,12-13,15-16H,17H2,1-2H3
SMILES	COc1ccc(cc1)C#Cc1ccccc1N(C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Cc1ccc(cc1)C
InChI Key	FIXDPECESSBSFY-UHFFFAOYSA-N
Molecular Formula	C31H20F15NO2
Exact Mass	723.472 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/FIXDPECESSBSFY-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/FIXDPECESSBSFY-UHFFFAOYSA-N/CHMO0000470
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:37:25.804064
MetadataModified	2024-09-07T23:22:41.718564
MetadataPublished	2022-09-15

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
164889714	PubChem
The data in this table is sourced from UniChem at EBI.