Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C23H16F3NO/c24-23(25,26)22(28)27(17-19-11-5-2-6-12-19)21-14-8-7-13-20(21)16-15-18-9-3-1-4-10-18/h1-14H,17H2
SMILES	O=C(C(F)(F)F)N(c1ccccc1C#Cc1ccccc1)Cc1ccccc1
InChI Key	VVAQNEJUGPEHSI-UHFFFAOYSA-N
Molecular Formula	C23H16F3NO
Exact Mass	379.374 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/VVAQNEJUGPEHSI-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/VVAQNEJUGPEHSI-UHFFFAOYSA-N/CHMO0000470
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:18:10.498824
MetadataModified	2024-09-07T22:57:01.994097
MetadataPublished	2022-09-15

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
J1.294.354G	Nikkaji
101026077	PubChem
The data in this table is sourced from UniChem at EBI.