Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C29H20F3NO/c30-29(31,32)26-17-9-8-16-25(26)28(34)33(21-23-13-5-2-6-14-23)27-18-10-7-15-24(27)20-19-22-11-3-1-4-12-22/h1-18H,21H2
SMILES	O=C(c1ccccc1C(F)(F)F)N(c1ccccc1C#Cc1ccccc1)Cc1ccccc1
InChI Key	LQJAQJSXWKWJFU-UHFFFAOYSA-N
Molecular Formula	C29H20F3NO
Exact Mass	455.470 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/LQJAQJSXWKWJFU-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/LQJAQJSXWKWJFU-UHFFFAOYSA-N/CHMO0000470
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T08:04:51.589590
MetadataModified	2024-09-07T23:58:36.956365
MetadataPublished	2022-12-19

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
166175708	PubChem
The data in this table is sourced from UniChem at EBI.