Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C29H14F17NO/c30-19-11-6-16(7-12-19)5-10-18-3-1-2-4-21(18)47(15-17-8-13-20(31)14-9-17)22(48)23(32,33)24(34,35)25(36,37)26(38,39)27(40,41)28(42,43)29(44,45)46/h1-4,6-9,11-14H,15H2
SMILES	Fc1ccc(cc1)CN(C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c1ccccc1C#Cc1ccc(cc1)F
InChI Key	XKUDYHRZHNKRFI-UHFFFAOYSA-N
Molecular Formula	C29H14F17NO
Exact Mass	715.400 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/XKUDYHRZHNKRFI-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/XKUDYHRZHNKRFI-UHFFFAOYSA-N/CHMO0000470
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:37:40.147072
MetadataModified	2024-09-07T23:22:59.172277
MetadataPublished	2022-09-15

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
164889715	PubChem
The data in this table is sourced from UniChem at EBI.