Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C32H17F15N2O3/c33-26(34,27(35,36)28(37,38)29(39,40)30(41,42)31(43,44)32(45,46)47)25(52)49(17-18-9-2-1-3-10-18)22-15-7-4-11-19(22)12-8-16-48-23(50)20-13-5-6-14-21(20)24(48)51/h1-7,9-11,13-15H,16-17H2
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)N(c1ccccc1C#CCN1C(=O)c2c(C1=O)cccc2)Cc1ccccc1
InChI Key	ZEGYPDBKNKWETI-UHFFFAOYSA-N
Molecular Formula	C32H17F15N2O3
Exact Mass	762.465 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ZEGYPDBKNKWETI-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/ZEGYPDBKNKWETI-UHFFFAOYSA-N/CHMO0000470
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:39:26.924733
MetadataModified	2024-09-07T23:25:21.080308
MetadataPublished	2022-09-15

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
164889718	PubChem
The data in this table is sourced from UniChem at EBI.