Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C47H40N4/c1-47(2,3)38-26-29-41-40(30-38)42-33-20-18-31-14-16-32(17-15-31)19-21-34(23-22-33)43(42)51(41)39-27-24-37(25-28-39)46-49-44(35-10-6-4-7-11-35)48-45(50-46)36-12-8-5-9-13-36/h4-17,22-30H,18-21H2,1-3H3
SMILES	CC(c1ccc2c(c1)c1c3ccc(c1n2c1ccc(cc1)c1nc(nc(n1)c1ccccc1)c1ccccc1)CCc1ccc(CC3)cc1)(C)C
InChI Key	IAJDAFNJLOFUQE-UHFFFAOYSA-N
Molecular Formula	C47H40N4
Exact Mass	660.847 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement

Field	Value
DOI	10.14272/IAJDAFNJLOFUQE-UHFFFAOYSA-N/CHMO0000563
License URL
Source	https://www.chemotion-repository.net/inchikey/IAJDAFNJLOFUQE-UHFFFAOYSA-N/CHMO0000563
Version
Author	Jasmin Seibert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:17:34.502030
MetadataModified	2024-09-08T04:17:34.502035
MetadataPublished	2024-07-26

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