Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C40H32N2/c1-2-8-33(9-3-1)41-38-27-31-20-18-28-14-16-29(17-15-28)19-21-32(38)26-37(31)30-22-24-34(25-23-30)42-39-12-6-4-10-35(39)36-11-5-7-13-40(36)42/h1-17,22-27,41H,18-21H2
SMILES	c1ccc(cc1)Nc1cc2CCc3ccc(CCc1cc2c1ccc(cc1)n1c2ccccc2c2c1cccc2)cc3
InChI Key	KRJCOBGZHYQKIP-UHFFFAOYSA-N
Molecular Formula	C40H32N2
Exact Mass	540.695 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/KRJCOBGZHYQKIP-UHFFFAOYSA-N/CHMO0000563
License URL
Source	https://www.chemotion-repository.net/inchikey/KRJCOBGZHYQKIP-UHFFFAOYSA-N/CHMO0000563
Version
Author	Christoph Zippel
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T08:14:51.377788
MetadataModified	2024-09-08T00:11:42.720508
MetadataPublished	2023-01-04

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

Data-Source Molecule ID	Data-Source
166451840	PubChem
The data in this table is sourced from UniChem at EBI.