Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C40H34N2/c1-4-10-35(11-5-1)41-40-29-33-22-20-30-16-18-31(19-17-30)21-23-34(40)28-39(33)32-24-26-38(27-25-32)42(36-12-6-2-7-13-36)37-14-8-3-9-15-37/h1-19,24-29,41H,20-23H2
SMILES	c1ccc(cc1)Nc1cc2CCc3ccc(CCc1cc2c1ccc(cc1)N(c1ccccc1)c1ccccc1)cc3
InChI Key	RMZJTTMHTWOBRS-UHFFFAOYSA-N
Molecular Formula	C40H34N2
Exact Mass	542.711 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/RMZJTTMHTWOBRS-UHFFFAOYSA-N/CHMO0000563
License URL
Source	https://www.chemotion-repository.net/inchikey/RMZJTTMHTWOBRS-UHFFFAOYSA-N/CHMO0000563
Version
Author	Christoph Zippel
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T08:11:52.557867
MetadataModified	2024-09-08T00:07:52.971131
MetadataPublished	2023-01-04

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

Data-Source Molecule ID	Data-Source
138453831	PubChem
The data in this table is sourced from UniChem at EBI.