Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C29H15F16NO/c30-20-14-11-17(12-15-20)10-13-19-8-4-5-9-21(19)46(16-18-6-2-1-3-7-18)22(47)23(31,32)24(33,34)25(35,36)26(37,38)27(39,40)28(41,42)29(43,44)45/h1-9,11-12,14-15H,16H2
SMILES	Fc1ccc(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)Cc1ccccc1
InChI Key	HTVPIWJJIZTEHZ-UHFFFAOYSA-N
Molecular Formula	C29H15F16NO
Exact Mass	697.410 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/HTVPIWJJIZTEHZ-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/HTVPIWJJIZTEHZ-UHFFFAOYSA-N/CHMO0000470
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:38:36.222686
MetadataModified	2024-09-07T23:24:13.906390
MetadataPublished	2022-09-15

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
164889716	PubChem
The data in this table is sourced from UniChem at EBI.