Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C29H24N2/c30-20-23-12-14-24(15-13-23)28-18-26-17-11-22-8-6-21(7-9-22)10-16-25(28)19-29(26)31-27-4-2-1-3-5-27/h1-9,12-15,18-19,31H,10-11,16-17H2
SMILES	N#Cc1ccc(cc1)c1cc2CCc3ccc(CCc1cc2Nc1ccccc1)cc3
InChI Key	HJQMPTHFOATQLQ-UHFFFAOYSA-N
Molecular Formula	C29H24N2
Exact Mass	400.514 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/HJQMPTHFOATQLQ-UHFFFAOYSA-N/CHMO0000563
License URL
Source	https://www.chemotion-repository.net/inchikey/HJQMPTHFOATQLQ-UHFFFAOYSA-N/CHMO0000563
Version
Author	Christoph Zippel
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T08:11:35.737924
MetadataModified	2024-09-08T00:07:32.013376
MetadataPublished	2023-01-04

Field	Value
Measurement Technique	fast-atom bombardment mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
166451843	PubChem
The data in this table is sourced from UniChem at EBI.